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Structure paper

TitleNovel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Journal, issue, pagesIucrj, Vol. 12, Page 177-187, Year 2025
Publish dateJul 10, 2024 (structure data deposition date)
AuthorsHuang, L. / Wang, W. / Zhu, Z. / Li, Q. / Li, M. / Zhou, H. / Xu, Q. / Wen, W. / Wang, Q. / Yu, F.
External linksIucrj / PubMed:39819741
MethodsX-ray diffraction
Resolution1.38 - 2.98 Å
Structure data

PDB-7h9k:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12478
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

PDB-7h9l:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14229
Method: X-RAY DIFFRACTION / Resolution: 1.42 Å

PDB-7h9m:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13527
Method: X-RAY DIFFRACTION / Resolution: 1.49 Å

PDB-7h9n:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13347
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-7h9o:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13146
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-7h9p:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12541
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-7h9q:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13944
Method: X-RAY DIFFRACTION / Resolution: 1.51 Å

PDB-7h9r:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14452
Method: X-RAY DIFFRACTION / Resolution: 1.69 Å

PDB-7h9s:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with FS-3027
Method: X-RAY DIFFRACTION / Resolution: 2.17 Å

PDB-7h9t:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12599
Method: X-RAY DIFFRACTION / Resolution: 2.48 Å

PDB-7h9u:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12864
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

PDB-7h9v:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12319
Method: X-RAY DIFFRACTION / Resolution: 1.52 Å

PDB-7h9w:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12314
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-7h9x:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14128
Method: X-RAY DIFFRACTION / Resolution: 1.47 Å

PDB-7h9y:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with NH-0224
Method: X-RAY DIFFRACTION / Resolution: 2.11 Å

PDB-7h9z:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12500
Method: X-RAY DIFFRACTION / Resolution: 2.06 Å

PDB-7ha0:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12546
Method: X-RAY DIFFRACTION / Resolution: 1.47 Å

PDB-7ha1:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with FL0092
Method: X-RAY DIFFRACTION / Resolution: 1.46 Å

PDB-7ha2:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14256
Method: X-RAY DIFFRACTION / Resolution: 1.73 Å

PDB-7ha3:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14259
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

PDB-7ha4:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14240
Method: X-RAY DIFFRACTION / Resolution: 1.61 Å

PDB-7ha5:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-3550
Method: X-RAY DIFFRACTION / Resolution: 1.53 Å

PDB-7ha6:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with DH-0718
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-7ha7:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-5947
Method: X-RAY DIFFRACTION / Resolution: 2.27 Å

PDB-7ha8:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14439
Method: X-RAY DIFFRACTION / Resolution: 2.22 Å

PDB-7ha9:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13551
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-7haa:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13279
Method: X-RAY DIFFRACTION / Resolution: 1.67 Å

PDB-7hab:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12700
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-7hac:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13324
Method: X-RAY DIFFRACTION / Resolution: 1.68 Å

PDB-7had:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14363
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

PDB-7hae:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13215
Method: X-RAY DIFFRACTION / Resolution: 1.73 Å

PDB-7haf:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13854
Method: X-RAY DIFFRACTION / Resolution: 1.61 Å

PDB-7hag:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14186
Method: X-RAY DIFFRACTION / Resolution: 1.53 Å

PDB-7hah:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-5160
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-7hai:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-5525
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-7haj:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-4122
Method: X-RAY DIFFRACTION / Resolution: 1.57 Å

PDB-7hak:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-6793
Method: X-RAY DIFFRACTION / Resolution: 1.72 Å

PDB-7hal:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12580
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-7ham:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14242
Method: X-RAY DIFFRACTION / Resolution: 1.77 Å

PDB-7han:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-3286
Method: X-RAY DIFFRACTION / Resolution: 1.61 Å

PDB-7hao:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13777
Method: X-RAY DIFFRACTION / Resolution: 1.83 Å

PDB-7hap:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13088
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-7haq:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13428
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-7har:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12616
Method: X-RAY DIFFRACTION / Resolution: 1.77 Å

PDB-7has:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12355
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-7hat:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12860
Method: X-RAY DIFFRACTION / Resolution: 2.04 Å

PDB-7hau:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13098
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-7hav:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12879
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

PDB-7haw:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12961
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-7hax:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13909
Method: X-RAY DIFFRACTION / Resolution: 2.29 Å

PDB-7hay:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14271
Method: X-RAY DIFFRACTION / Resolution: 2.27 Å

PDB-7haz:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12919
Method: X-RAY DIFFRACTION / Resolution: 1.68 Å

PDB-7hb0:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12780
Method: X-RAY DIFFRACTION / Resolution: 1.78 Å

PDB-7hb1:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12936
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

PDB-7hb2:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with FL0184
Method: X-RAY DIFFRACTION / Resolution: 1.67 Å

PDB-7hb3:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13043
Method: X-RAY DIFFRACTION / Resolution: 2.34 Å

PDB-7hb4:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14472
Method: X-RAY DIFFRACTION / Resolution: 1.87 Å

PDB-7hb5:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13078
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-7hb6:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13755
Method: X-RAY DIFFRACTION / Resolution: 2.09 Å

PDB-7hb7:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12696
Method: X-RAY DIFFRACTION / Resolution: 2.98 Å

PDB-7hb8:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13480
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-7hb9:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13464
Method: X-RAY DIFFRACTION / Resolution: 1.89 Å

PDB-7hba:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13425
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-7hbb:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13430
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

PDB-7hbc:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13229
Method: X-RAY DIFFRACTION / Resolution: 1.86 Å

PDB-7hbd:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12810
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-7hbe:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12771
Method: X-RAY DIFFRACTION / Resolution: 1.79 Å

PDB-7hbf:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12938
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

PDB-7hbg:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13237
Method: X-RAY DIFFRACTION / Resolution: 1.69 Å

PDB-7hbh:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13518
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-7hbj:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13498
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

PDB-7hbk:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13232
Method: X-RAY DIFFRACTION / Resolution: 2.14 Å

PDB-7hbl:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12214
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-7hbm:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13278
Method: X-RAY DIFFRACTION / Resolution: 2.21 Å

PDB-7hbn:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13145
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

PDB-7hbo:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13368
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

PDB-7hbp:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13188
Method: X-RAY DIFFRACTION / Resolution: 1.91 Å

PDB-7hbq:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with FS-2731
Method: X-RAY DIFFRACTION / Resolution: 2.73 Å

PDB-7hbr:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with AS-5576
Method: X-RAY DIFFRACTION / Resolution: 1.91 Å

PDB-7hbs:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 10X-0806
Method: X-RAY DIFFRACTION / Resolution: 1.38 Å

PDB-7hbt:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-3621
Method: X-RAY DIFFRACTION / Resolution: 1.38 Å

PDB-7hbu:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with CC-0741
Method: X-RAY DIFFRACTION / Resolution: 1.44 Å

PDB-7hbv:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-4833
Method: X-RAY DIFFRACTION / Resolution: 1.56 Å

PDB-7hbw:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-4774
Method: X-RAY DIFFRACTION / Resolution: 1.91 Å

PDB-7hbx:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with AS-5591
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-7hby:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 9R-0342
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

PDB-7hbz:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 6R-0009
Method: X-RAY DIFFRACTION / Resolution: 1.44 Å

PDB-7hc0:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 4W-0801
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

PDB-7hc1:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 10T-0263
Method: X-RAY DIFFRACTION / Resolution: 2.13 Å

PDB-7hc2:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 2X-5009
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-7hc3:
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 3T-0629
Method: X-RAY DIFFRACTION / Resolution: 2.22 Å

Chemicals

PDB-1aw3:
THE SOLUTION NMR STRUCTURE OF OXIDIZED RAT MICROSOMAL CYTOCHROME B5, MINIMIZED AVERAGE STRUCTURE

ChemComp-HOH:
WATER

PDB-1aw6:
GAL4 (CD), NMR, 24 STRUCTURES

PDB-1aw8:
PYRUVOYL DEPENDENT ASPARTATE DECARBOXYLASE

PDB-1axz:
ERYTHRINA CORALLODENDRON LECTIN IN COMPLEX WITH D-GALACTOSE

PDB-1axa:
ACTIVE-SITE MOBILITY IN HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE AS DEMONSTRATED BY CRYSTAL STRUCTURE OF A28S MUTANT

ChemComp-HX8:
4-phenoxyphenol

PDB-1ax0:
ERYTHRINA CORALLODENDRON LECTIN IN COMPLEX WITH N-ACTYLGALACTOSAMINE

PDB-1ax2:
ERYTHRINA CORALLODENDRON LECTIN IN COMPLEX WITH N-ACETYLLACTOSAMINE

PDB-1axj:
FMN-BINDING PROTEIN FROM DESULFOVIBRIO VULGARIS (MIYAZAKI F), NMR, 20 STRUCTURES

PDB-1axl:
SOLUTION CONFORMATION OF THE (-)-TRANS-ANTI-[BP]DG ADDUCT OPPOSITE A DELETION SITE IN DNA DUPLEX D(CCATC-[BP]G-CTACC)D(GGTAG--GATGG), NMR, 6 STRUCTURES

ChemComp-8K2:
5-chloranylthiophene-2-sulfonamide

PDB-1axo:
STRUCTURAL ALIGNMENT OF THE (+)-TRANS-ANTI-[BP]DG ADDUCT POSITIONED OPPOSITE DC AT A DNA TEMPLATE-PRIMER JUNCTION, NMR, 6 STRUCTURES

ChemComp-SLS:
3,4-dihydro-2~{H}-chromene-6-carboxamide

PDB-1axd:
STRUCTURE OF GLUTATHIONE S-TRANSFERASE-I BOUND WITH THE LIGAND LACTOYLGLUTATHIONE


PDB Unreleased entry

PDB-1axf: Unknown entry

PDB-1axh:
ATRACOTOXIN-HVI FROM HADRONYCHE VERSUTA (AUSTRALIAN FUNNEL-WEB SPIDER, NMR, 20 STRUCTURES

ChemComp-54F:
3-(pyridin-2-yloxy)aniline

PDB-1ax6:
SOLUTION STRUCTURE OF THE [AF]-C8-DG ADDUCT OPPOSITE A-2 DELETION SITE IN THE NARI HOT SPOT SEQUENCE CONTEXT; NMR, 6 STRUCTURES

PDB-1ax8:
Human obesity protein, leptin

PDB-1aw0:
FOURTH METAL-BINDING DOMAIN OF THE MENKES COPPER-TRANSPORTING ATPASE, NMR, 20 STRUCTURES

PDB-1aw1:
TRIOSEPHOSPHATE ISOMERASE OF VIBRIO MARINUS COMPLEXED WITH 2-PHOSPHOGLYCOLATE

PDB-1aw2:
TRIOSEPHOSPHATE ISOMERASE OF VIBRIO MARINUS

PDB-1aw5:
5-AMINOLEVULINATE DEHYDRATASE FROM SACCHAROMYCES CEREVISIAE

PDB-1aw7:
Q136A MUTANT OF TOXIC SHOCK SYNDROME TOXIN-1 FROM S. AUREUS

PDB-1axy:
ERYTHRINA CORALLODENDRON LECTIN

PDB-1aw9:
STRUCTURE OF GLUTATHIONE S-TRANSFERASE III IN APO FORM

PDB-1axb:
TEM-1 BETA-LACTAMASE FROM ESCHERICHIA COLI INHIBITED WITH AN ACYLATION TRANSITION STATE ANALOG

PDB-1axc:
HUMAN PCNA

PDB-1ax1:
ERYTHRINA CORALLODENDRON LECTIN IN COMPLEX WITH LACTOSE

PDB-1ax3:
SOLUTION NMR STRUCTURE OF B. SUBTILIS IIAGLC, 16 STRUCTURES

PDB-1axk:
ENGINEERED BACILLUS BIFUNCTIONAL ENZYME GLUXYN-1

PDB-1axm:
HEPARIN-LINKED BIOLOGICALLY-ACTIVE DIMER OF FIBROBLAST GROWTH FACTOR

PDB-1axn:
THE HIGH RESOLUTION STRUCTURE OF ANNEXIN III SHOWS DIFFERENCES WITH ANNEXIN V

PDB-1axp:
DNA DUPLEX CONTAINING A PURINE-RICH STRAND, NMR, 6 STRUCTURES

PDB-1axq:
FERRICYANIDE OXIDIZED FDI

PDB-1axe:
CRYSTAL STRUCTURE OF THE ACTIVE-SITE MUTANT PHE93->TRP OF HORSE LIVER ALCOHOL DEHYDROGENASE IN COMPLEX WITH NAD AND INHIBITOR TRIFLUOROETHANOL

PDB-1axg:
CRYSTAL STRUCTURE OF THE VAL203->ALA MUTANT OF LIVER ALCOHOL DEHYDROGENASE COMPLEXED WITH COFACTOR NAD AND INHIBITOR TRIFLUOROETHANOL SOLVED TO 2.5 ANGSTROM RESOLUTION

PDB-1ax4:
TRYPTOPHANASE FROM PROTEUS VULGARIS

PDB-1ax5:
Unknown entry

PDB-1ax7:
SOLUTION STRUCTURE OF THE [AF]-C8-DG ADDUCT POSITIONED AT A TEMPLATE-PRIMER JUNCTION, NMR, 6 STRUCTURES

PDB-1ax9:
ACETYLCHOLINESTERASE COMPLEXED WITH EDROPHONIUM, LAUE DATA

ChemComp-FMQ:
[1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol

PDB-1ayu:
CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT SYMMETRIC BISCARBOHYDRAZIDE INHIBITOR

PDB-1ayw:
CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT BENZYLOXYBENZOYLCARBOHYDRAZIDE INHIBITOR

PDB-1ayy:
GLYCOSYLASPARAGINASE

PDB-1ay5:
AROMATIC AMINO ACID AMINOTRANSFERASE COMPLEX WITH MALEATE

PDB-1aya:
CRYSTAL STRUCTURES OF PEPTIDE COMPLEXES OF THE AMINO-TERMINAL SH2 DOMAIN OF THE SYP TYROSINE PHOSPHATASE

PDB-1ay0:
IDENTIFICATION OF CATALYTICALLY IMPORTANT RESIDUES IN YEAST TRANSKETOLASE

PDB-1ayd:
CRYSTAL STRUCTURES OF PEPTIDE COMPLEXES OF THE AMINO-TERMINAL SH2 DOMAIN OF THE SYP TYROSINE PHOSPHATASE

PDB-1ayf:
BOVINE ADRENODOXIN (OXIDIZED)


PDB Unreleased entry

PDB-1ayh: Unknown entry

PDB-1ayi:
COLICIN E7 IMMUNITY PROTEIN IM7

PDB-1ayk:
INHIBITOR-FREE CATALYTIC FRAGMENT OF HUMAN FIBROBLAST COLLAGENASE, NMR, 30 STRUCTURES

ChemComp-A7Q:
(6-phenoxypyridin-3-yl)methanol

PDB-1ay2:
STRUCTURE OF THE FIBER-FORMING PROTEIN PILIN AT 2.6 ANGSTROMS RESOLUTION

PDB-1aym:
HUMAN RHINOVIRUS 16 COAT PROTEIN AT HIGH RESOLUTION

PDB-1axv:
SOLUTION NMR STRUCTURE OF THE [BP]DA ADDUCT OPPOSITE DT IN A DNA DUPLEX, 6 STRUCTURES

ChemComp-6RO:
~{N}-(4-chlorophenyl)methanesulfonamide

ChemComp-72R:
5-fluoranyl-1~{H}-indole-2,3-dione

ChemComp-WP1:
2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

PDB-1axs:
MATURE OXY-COPE CATALYTIC ANTIBODY WITH HAPTEN

PDB-1ayn:
HUMAN RHINOVIRUS 16 COAT PROTEIN

PDB-1ayo:
RECEPTOR BINDING DOMAIN OF BOVINE ALPHA-2-MACROGLOBULIN

PDB-1ay4:
AROMATIC AMINO ACID AMINOTRANSFERASE WITHOUT SUBSTRATE

PDB-1ayv:
CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT THIAZOLHYDRAZIDE INHIBITOR

PDB-1ayx:
CRYSTAL STRUCTURE OF GLUCOAMYLASE FROM SACCHAROMYCOPSIS FIBULIGERA AT 1.7 ANGSTROMS

PDB-1ayz:
CRYSTAL STRUCTURE OF THE SACCHAROMYCES CEREVISIAE UBIQUITIN-CONJUGATING ENZYME RAD6 (UBC2) AT 2.6A RESOLUTION

PDB-1ay6:
THROMBIN INHIBITOR FROM THEONALLA, CYCLOTHEANAMIDE-BASED MACROCYCLIC TRIPEPTIDE MOTIF

PDB-1ayb:
CRYSTAL STRUCTURES OF PEPTIDE COMPLEXES OF THE AMINO-TERMINAL SH2 DOMAIN OF THE SYP TYROSINE PHOSPHATASE

PDB-1ayc:
CRYSTAL STRUCTURES OF PEPTIDE COMPLEXES OF THE AMINO-TERMINAL SH2 DOMAIN OF THE SYP TYROSINE PHOSPHATASE

PDB-1aye:
HUMAN PROCARBOXYPEPTIDASE A2

PDB-1ayg:
SOLUTION STRUCTURE OF CYTOCHROME C-552, NMR, 20 STRUCTURES

ChemComp-9TW:
3-chloranyl-4-fluoranyl-benzamide

PDB-1ayj:
DETERMINATION OF THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF RAPHANUS SATIVUS ANTIFUNGAL PROTEIN 1 (RS-AFP1) BY 1H NMR, 20 STRUCTURES

PDB-1abl:
Unknown entry

PDB-1ay1:
ANTI TAQ FAB TP7

PDB-1ayl:
PHOSPHOENOLPYRUVATE CARBOXYKINASE

PDB-1axu:
SOLUTION NMR STRUCTURE OF THE [AP]DG ADDUCT OPPOSITE DA IN A DNA DUPLEX, NMR, 9 STRUCTURES

PDB-1axw:
E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH METHOTREXATE (MTX) AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)

PDB-1axx:
THE SOLUTION STRUCTURE OF OXIDIZED RAT MICROSOMAL CYTOCHROME B5, NMR, 19 STRUCTURES

PDB-1axr:
COOPERATIVITY BETWEEN HYDROGEN-BONDING AND CHARGE-DIPOLE INTERACTIONS IN THE INHIBITION OF BETA-GLYCOSIDASES BY AZOLOPYRIDINES: EVIDENCE FROM A STUDY WITH GLYCOGEN PHOSPHORYLASE B

ChemComp-KXQ:
1~{H}-indole-7-carboxylic acid

PDB-1axt:
IMMUNE VERSUS NATURAL SELECTION: ANTIBODY ALDOLASES WITH THE RATES OF NATURAL ENZYMES

PDB-1ay3:
Nodularin from Nodularia spumigena

PDB-1ay7:
RIBONUCLEASE SA COMPLEX WITH BARSTAR

PDB-1ayp:
A PROBE MOLECULE COMPOSED OF SEVENTEEN PERCENT OF TOTAL DIFFRACTING MATTER GIVES CORRECT SOLUTIONS IN MOLECULAR REPLACEMENT


PDB Unreleased entry

PDB-1ayq: Unknown entry

PDB-1ayr:
ARRESTIN FROM BOVINE ROD OUTER SEGMENTS

PDB-1ays:
Unknown entry

PDB-1aw4:
STRUCTURAL BASIS OF DNA FOLDING AND RECOGNITION IN AMP-DNA APTAMER COMPLEX, NMR, 7 STRUCTURES

PDB-1ayt:
Unknown entry

Source
  • homo sapiens (human)
KeywordsCHAPERONE / Crystallographic Fragment Screening; Fragment-Based Drug Discovery (FBDD); Heat shock protein 90 (HSP90)

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