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4M5W
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BU of 4m5w by Molmil
Crystal structure of the USP7/HAUSP catalytic domain
Descriptor: BROMIDE ION, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Molland, K.L, Mesecar, A.D, Zhou, Q.
Deposit date:2013-08-08
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.244 Å)
Cite:A 2.2 angstrom resolution structure of the USP7 catalytic domain in a new space group elaborates upon structural rearrangements resulting from ubiquitin binding.
Acta Crystallogr F Struct Biol Commun, 70, 2014
3ZEB
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BU of 3zeb by Molmil
A complex of GlpG with isocoumarin inhibitor covalently bonded to serine 201 and histidine 150
Descriptor: 2-phenylethyl 2-(4-azanyl-2-methanoyl-phenyl)ethanoate, CHLORIDE ION, RHOMBOID PROTEASE GLPG, ...
Authors:Vinothkumar, K.R, voskya, O, Kuettler, E.V, Brouwer, A.J, Liskamp, R.M.J, Verhelst, S.H.L.
Deposit date:2012-12-04
Release date:2013-02-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Activity-Based Probes for Rhomboid Proteases Discovered in a Mass Spectrometry-Based Assay.
Proc.Natl.Acad.Sci.USA, 110, 2013
4KUO
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BU of 4kuo by Molmil
A superfast recovering full-length LOV protein from the marine phototrophic bacterium Dinoroseobacter shibae (Photoexcited state)
Descriptor: RIBOFLAVIN, blue-light photoreceptor
Authors:Circolone, F, Granzin, J, Stadler, A, Krauss, U, Drepper, T, Endres, S, Knieps-Gruenhagen, E, Wirtz, A, Willbold, D, Batra-Safferling, R, Jaeger, K.-E.
Deposit date:2013-05-22
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and function of a short LOV protein from the marine phototrophic bacterium Dinoroseobacter shibae.
BMC Microbiol, 15, 2015
1YTT
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BU of 1ytt by Molmil
YB SUBSTITUTED SUBTILISIN FRAGMENT OF MANNOSE BINDING PROTEIN-A (SUB-MBP-A), MAD STRUCTURE AT 110K
Descriptor: MANNOSE-BINDING PROTEIN A, YTTERBIUM (III) ION
Authors:Burling, F.T, Weis, W.I, Flaherty, K.M, Brunger, A.T.
Deposit date:1995-11-09
Release date:1996-06-10
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Direct observation of protein solvation and discrete disorder with experimental crystallographic phases.
Science, 271, 1996
1YAZ
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BU of 1yaz by Molmil
AZIDE-BOUND YEAST CU(II)/ZN SUPEROXIDE DISMUTASE ROOM TEMPERATURE (298K) STRUCTURE
Descriptor: AZIDE ION, COPPER (II) ION, PROTEIN (CU/ZN SUPEROXIDE DISMUTASE), ...
Authors:Hart, P.J, Balbirnie, M.M, Ogihara, N.L, Nersissian, A.M, Weiss, M.S, Valentine, J.S, Eisenberg, D.
Deposit date:1998-12-23
Release date:2000-01-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A structure-based mechanism for copper-zinc superoxide dismutase.
Biochemistry, 38, 1999
3FFP
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BU of 3ffp by Molmil
X ray structure of the complex between carbonic anhydrase II and LC inhibitors
Descriptor: 2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide, BENZOIC ACID, Carbonic anhydrase 2, ...
Authors:Temperini, C, Crocetti, L, Scozzafava, A, Supuran, C.T.
Deposit date:2008-12-04
Release date:2009-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:A thiabendazole sulfonamide shows potent inhibitory activity against mammalian and nematode alpha-carbonic anhydrases
Bioorg.Med.Chem.Lett., 19, 2009
1XXT
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BU of 1xxt by Molmil
The T-to-T High Transitions in Human Hemoglobin: wild-type deoxy Hb A (low salt, one test set)
Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kavanaugh, J.S, Rogers, P.H, Arnone, A.
Deposit date:2004-11-08
Release date:2004-12-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
1JBD
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BU of 1jbd by Molmil
NMR Structure of the Complex Between alpha-bungarotoxin and a Mimotope of the Nicotinic Acetylcholine Receptor
Descriptor: LONG NEUROTOXIN 1, MIMOTOPE OF THE NICOTINIC ACETYLCHOLINE RECEPTOR
Authors:Scarselli, M, Spiga, O, Ciutti, A, Bracci, L, Lelli, B, Lozzi, L, Calamandrei, D, Bernini, A, Di Maro, D, Klein, S, Niccolai, N.
Deposit date:2001-06-04
Release date:2001-06-27
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:NMR structure of alpha-bungarotoxin free and bound to a mimotope of the nicotinic acetylcholine receptor.
Biochemistry, 41, 2002
3ONS
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BU of 3ons by Molmil
Crystal structure of Human Ubiquitin in a new crystal form
Descriptor: Ubiquitin
Authors:Amodeo, G.A, Huang, K.Y, Mcdermott, A.E, Tong, L.
Deposit date:2010-08-30
Release date:2011-02-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of human ubiquitin in 2-methyl-2,4-pentanediol: a new conformational switch.
Protein Sci., 20, 2011
4M5X
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BU of 4m5x by Molmil
Crystal structure of the USP7/HAUSP catalytic domain
Descriptor: BROMIDE ION, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Mesecar, A.D, Molland, K.L, Zhou, Q.
Deposit date:2013-08-08
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.187 Å)
Cite:A 2.2 angstrom resolution structure of the USP7 catalytic domain in a new space group elaborates upon structural rearrangements resulting from ubiquitin binding.
Acta Crystallogr F Struct Biol Commun, 70, 2014
1KID
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BU of 1kid by Molmil
GROEL (HSP60 CLASS) FRAGMENT (APICAL DOMAIN) COMPRISING RESIDUES 191-376, MUTANT WITH ALA 262 REPLACED WITH LEU AND ILE 267 REPLACED WITH MET
Descriptor: GROEL (HSP60 CLASS)
Authors:Buckle, A.M, Fersht, A.R.
Deposit date:1996-12-13
Release date:1997-09-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A structural model for GroEL-polypeptide recognition.
Proc.Natl.Acad.Sci.USA, 94, 1997
3E0Q
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BU of 3e0q by Molmil
Crystal structure of Schistosoma mansoni purine nucleoside phosphorylase complexed with a novel monocyclic inhibitor
Descriptor: 6-amino-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione, DIMETHYL SULFOXIDE, Purine-nucleoside phosphorylase
Authors:Pereira, H.M, Berdini, V, Ferri, M.R, Cleasby, A, Garratt, R.C.
Deposit date:2008-07-31
Release date:2009-08-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Schistosoma purine nucleoside phosphorylase complexed with a novel monocyclic inhibitor.
Acta Trop., 114, 2010
1DNO
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BU of 1dno by Molmil
A-DNA/RNA DODECAMER R(GCG)D(TATACGC) MG BINDING SITES
Descriptor: DNA/RNA (5'-R(*GP*CP*GP)-D(*TP*AP*TP*AP*CP*GP*C)-3'), MAGNESIUM ION
Authors:Robinson, H, Gao, Y.-G, Sanishvili, R, Joachimiak, A, Wang, A.H.-J.
Deposit date:1999-12-16
Release date:2000-04-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Hexahydrated magnesium ions bind in the deep major groove and at the outer mouth of A-form nucleic acid duplexes.
Nucleic Acids Res., 28, 2000
3FQM
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BU of 3fqm by Molmil
Crystal structure of a novel dimeric form of HCV NS5A domain I protein
Descriptor: GLYCEROL, Non-structural protein 5A, ZINC ION
Authors:Love, R.A.
Deposit date:2009-01-07
Release date:2009-03-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a novel dimeric form of NS5A domain I protein from hepatitis C virus
J.Virol., 83, 2009
1DNZ
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BU of 1dnz by Molmil
A-DNA DECAMER ACCGGCCGGT WITH MAGNESIUM BINDING SITES
Descriptor: DNA (5'-D(*AP*CP*CP*GP*GP*CP*CP*GP*GP*T)-3'), MAGNESIUM ION
Authors:Robinson, H, Gao, Y.-G, Sanishvili, R, Joachimiak, A, Wang, A.H.-J.
Deposit date:1999-12-17
Release date:2000-04-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Hexahydrated magnesium ions bind in the deep major groove and at the outer mouth of A-form nucleic acid duplexes.
Nucleic Acids Res., 28, 2000
1DPL
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BU of 1dpl by Molmil
A-DNA DECAMER GCGTA(T23)TACGC WITH INCORPORATED 2'-METHOXY-3'-METHYLENEPHOSPHATE-THYMIDINE
Descriptor: 5'-D(*GP*CP*GP*TP*AP*(T23)P*AP*CP*GP*C)-3', MAGNESIUM ION, SPERMINE
Authors:Egli, M, Tereshko, V, Teplova, M, Minasov, G, Joachimiak, A, Sanishvili, R, Weeks, C.M, Miller, R, Maier, M.A, An, H, Dan Cook, P, Manoharan, M.
Deposit date:1999-12-27
Release date:2000-04-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (0.83 Å)
Cite:X-ray crystallographic analysis of the hydration of A- and B-form DNA at atomic resolution.
Biopolymers, 48, 1998
1HOY
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BU of 1hoy by Molmil
NMR STRUCTURE OF THE COMPLEX BETWEEN A-BUNGAROTOXIN AND A MIMOTOPE OF THE NICOTINIC ACETYLCHOLINE RECEPTOR
Descriptor: LONG NEUROTOXIN 1, MIMOTOPE OF THE NICOTINIC ACETYLCHOLINE RECEPTOR
Authors:Scarselli, M, Spiga, O, Ciutti, A, Bracci, L, Lelli, B, Lozzi, L, Calamandrei, D, Bernini, A, Di Maro, D, Niccolai, N, Neri, P.
Deposit date:2000-12-12
Release date:2000-12-27
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:NMR structure of alpha-bungarotoxin free and bound to a mimotope of the nicotinic acetylcholine receptor.
Biochemistry, 41, 2002
3M7S
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BU of 3m7s by Molmil
Crystal structure of the complex of xylanase GH-11 and alpha amylase inhibitor protein with cellobiose at 2.4 A resolution
Descriptor: ACETATE ION, Haementhin, PHOSPHATE ION, ...
Authors:Kumar, S, Dube, D, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2010-03-17
Release date:2010-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure determination and inhibition studies of a novel xylanase and alpha-amylase inhibitor protein (XAIP) from Scadoxus multiflorus.
Febs J., 277, 2010
1QLW
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BU of 1qlw by Molmil
The Atomic Resolution Structure of a Novel Bacterial Esterase
Descriptor: ESTERASE, SULFATE ION
Authors:Bourne, P.C, Isupov, M.N, Littlechild, J.A.
Deposit date:1999-09-17
Release date:2000-02-10
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:The Atomic Resolution Structure of a Novel Bacterial Esterase
Structure, 8, 2000
1HUL
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BU of 1hul by Molmil
A NOVEL DIMER CONFIGURATION REVEALED BY THE CRYSTAL STRUCTURE AT 2.4 ANGSTROMS RESOLUTION OF HUMAN INTERLEUKIN-5
Descriptor: INTERLEUKIN-5
Authors:Milburn, M.V.
Deposit date:1995-03-17
Release date:1995-12-07
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A novel dimer configuration revealed by the crystal structure at 2.4 A resolution of human interleukin-5.
Nature, 363, 1993
4NJV
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BU of 4njv by Molmil
Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with ritonavir
Descriptor: Protease, RITONAVIR
Authors:Yedidi, R.S, Garimella, H, Chang, S.B, Kaufman, J.D, Das, D, Wingfield, P.T, Mitsuya, H.
Deposit date:2013-11-11
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV.
Antimicrob.Agents Chemother., 58, 2014
206D
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BU of 206d by Molmil
BASE-PAIR OPENING AND SPERMINE BINDING-B-DNA FEATURES DISPLAYED IN THE CRYSTAL STRUCTURE OF A GAL OPERON FRAGMENT: IMPLICATIONS FOR PROTEIN-DNA RECOGNITION
Descriptor: DNA (5'-D(*CP*CP*AP*CP*CP*G)-3'), DNA (5'-D(*CP*GP*GP*TP*GP*G)-3'), SPERMINE
Authors:Tari, L.W, Secco, A.S.
Deposit date:1995-04-19
Release date:1996-06-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Base-pair opening and spermine binding--B-DNA features displayed in the crystal structure of a gal operon fragment: implications for protein-DNA recognition.
Nucleic Acids Res., 23, 1995
1NCP
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BU of 1ncp by Molmil
STRUCTURAL CHARACTERIZATION OF A 39 RESIDUE SYNTHETIC PEPTIDE CONTAINING THE TWO ZINC BINDING DOMAINS FROM THE HIV-1 P7 NUCLEOCAPSID PROTEIN BY CD AND NMR SPECTROSCOPY
Descriptor: HIV-1 P7 NUCLEOCAPSID PROTEIN, ZINC ION
Authors:Clore, G.M, Omichinski, J.G, Gronenborn, A.M.
Deposit date:1991-11-27
Release date:1993-10-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural characterization of a 39-residue synthetic peptide containing the two zinc binding domains from the HIV-1 p7 nucleocapsid protein by CD and NMR spectroscopy.
FEBS Lett., 292, 1991
4O60
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BU of 4o60 by Molmil
Structure of ankyrin repeat protein
Descriptor: ANK-N5C-317
Authors:Ethayathulla, A.S, Guan, L.
Deposit date:2013-12-20
Release date:2015-03-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:A transcription blocker isolated from a designed repeat protein combinatorial library by in vivo functional screen.
Sci Rep, 5, 2015
1HBV
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BU of 1hbv by Molmil
A CHECK ON RATIONAL DRUG DESIGN. CRYSTAL STRUCTURE OF A COMPLEX OF HIV-1 PROTEASE WITH A NOVEL GAMMA-TURN MIMETIC
Descriptor: 2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-2,3,6,7-TETRAHYDRO-1H-AZEPIN-1-YL]-1-OXOPROPYL-VALINYL-VALINE-METHYLESTER, HIV-1 PROTEASE
Authors:Hoog, S, Abdel-Meguid, S.
Deposit date:1995-03-29
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A check on rational drug design: crystal structure of a complex of human immunodeficiency virus type 1 protease with a novel gamma-turn mimetic inhibitor.
J.Med.Chem., 38, 1995

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