1DF4
 
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1DFY
 | | NMR STRUCTURE OF CONTRYPHAN-SM CYCLIC PEPTIDE (MAJOR FORM-CIS) | | Descriptor: | CONTRYPHAN-SM | | Authors: | Pallaghy, P.K, He, W, Jimenez, E.C, Olivera, B.M, Norton, R.S. | | Deposit date: | 1999-11-22 | | Release date: | 2002-05-01 | | Last modified: | 2020-06-24 | | Method: | SOLUTION NMR | | Cite: | Structures of the contryphan family of cyclic peptides. Role of electrostatic interactions in cis-trans isomerism.
Biochemistry, 39, 2000
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6BR1
 | | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4a | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine, CALCIUM ION, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2017-11-29 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
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1DKF
 | | CRYSTAL STRUCTURE OF A HETERODIMERIC COMPLEX OF RAR AND RXR LIGAND-BINDING DOMAINS | | Descriptor: | 4-[(4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-[1,2']BINAPTHALENYL-7-CARBONYL)-AMINO]-BENZOIC ACID, OLEIC ACID, PROTEIN (RETINOIC ACID RECEPTOR-ALPHA), ... | | Authors: | Bourguet, W, Vivat, V, Wurtz, J.M, Chambon, P, Gronemeyer, H, Moras, D, Structural Proteomics in Europe (SPINE) | | Deposit date: | 1999-12-07 | | Release date: | 2000-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of a heterodimeric complex of RAR and RXR ligand-binding domains.
Mol.Cell, 5, 2000
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6BPI
 | | Crystal structure of SETDB1 Tudor domain with aryl triazole fragment peptide conjugates | | Descriptor: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, MLY-SER-THR-E2G, ... | | Authors: | MADER, P, Mendoza-Sanchez, R, DONG, A, DOBROVETSKY, E, IQBAL, A, CORLESS, V, TEMPEL, W, LIEW, S.K, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D.B, SCHAPIRA, M, VEDADI, M, BROWN, P.J, Santhakumar, V, FRYE, S, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-11-23 | | Release date: | 2017-12-27 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of SETDB1 Tudor domain with aryl triazole fragment peptide conjugates
to be published
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1DLB
 | | HELICAL INTERACTIONS IN THE HIV-1 GP41 CORE REVEALS STRUCTURAL BASIS FOR THE INHIBITORY ACTIVITY OF GP41 PEPTIDES | | Descriptor: | HIV-1 ENVELOPE GLYCOPROTEIN GP41 | | Authors: | Shu, W, Liu, J, Ji, H, Rading, L, Jiang, S, Lu, M. | | Deposit date: | 1999-12-09 | | Release date: | 1999-12-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Helical interactions in the HIV-1 gp41 core reveal structural basis for the inhibitory activity of gp41 peptides.
Biochemistry, 39, 2000
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6BGN
 | | Crystal Structure of 4-Oxalocrotonate Tautomerase After Incubation with 5-Fluoro-2-hydroxy-2,4-pentadienoate | | Descriptor: | 2-hydroxymuconate tautomerase, 5-fluoranyl-2-oxidanylidene-pentanoic acid, GLYCEROL, ... | | Authors: | Zhang, Y, Li, W, Stack, T. | | Deposit date: | 2017-10-29 | | Release date: | 2018-02-21 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Inactivation of 4-Oxalocrotonate Tautomerase by 5-Halo-2-hydroxy-2,4-pentadienoates.
Biochemistry, 57, 2018
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6BSH
 | | Structure of HIV-1 RT complexed with RNA/DNA hybrid in the RNA hydrolysis mode | | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, CALCIUM ION, DNA (5'-D(*GP*TP*AP*TP*GP*CP*CP*AP*CP*TP*AP*GP*TP*TP*AP*TP*TP*GP*TP*GP*GP*CP*C)-3'), ... | | Authors: | Tian, L, Kim, M, Yang, W. | | Deposit date: | 2017-12-03 | | Release date: | 2018-01-03 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.649 Å) | | Cite: | Structure of HIV-1 reverse transcriptase cleaving RNA in an RNA/DNA hybrid.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6CER
 | | Human pyruvate dehydrogenase complex E1 component V138M mutation | | Descriptor: | MAGNESIUM ION, Pyruvate dehydrogenase E1 component subunit alpha, somatic form, ... | | Authors: | Whitley, M.J, Arjunan, P, Furey, W. | | Deposit date: | 2018-02-12 | | Release date: | 2018-07-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Pyruvate dehydrogenase complex deficiency is linked to regulatory loop disorder in the alpha V138M variant of human pyruvate dehydrogenase.
J. Biol. Chem., 293, 2018
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1DRM
 | | CRYSTAL STRUCTURE OF THE LIGAND FREE BJFIXL HEME DOMAIN | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SENSOR PROTEIN FIXL | | Authors: | Gong, W, Hao, B, Mansy, S.S, Gonzalez, G, Gilles-Gonzalez, M.A, Chan, M.K. | | Deposit date: | 2000-01-06 | | Release date: | 2000-01-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of a biological oxygen sensor: a new mechanism for heme-driven signal transduction.
Proc.Natl.Acad.Sci.USA, 95, 1998
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6CHK
 | | Crystal structure of LacI family transcriptional regulator from Lactobacillus casei, Target EFI-512911, with bound TRIS | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, SODIUM ION, ... | | Authors: | Patskovsky, Y, Toro, R, Shabalin, I.G, Kowiel, M, Porebski, P.J, Minor, W, Jaskolski, M, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative, E.F.I. | | Deposit date: | 2018-02-22 | | Release date: | 2018-03-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Automatic recognition of ligands in electron density by machine learning.
Bioinformatics, 35, 2019
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6CDG
 | | GID4 fragment in complex with a peptide | | Descriptor: | Glucose-induced degradation protein 4 homolog, Hexapeptide PGLWKS, UNKNOWN ATOM OR ION | | Authors: | Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-08 | | Release date: | 2018-03-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular basis of GID4-mediated recognition of degrons for the Pro/N-end rule pathway.
Nat. Chem. Biol., 14, 2018
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1DQP
 | | CRYSTAL STRUCTURE OF GIARDIA GUANINE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WITH IMMUCILLING | | Descriptor: | 1,4-DIDEOXY-1,4-IMINO-1-(S)-(9-DEAZAGUANIN-9-YL)-D-RIBITOL, GUANINE PHOSPHORIBOSYLTRANSFERASE, ISOPROPYL ALCOHOL | | Authors: | Shi, W, Munagala, N.R, Wang, C.C, Li, C.M, Tyler, P.C, Furneaux, R.H, Grubmeyer, C, Schramm, V.L, Almo, S.C. | | Deposit date: | 2000-01-04 | | Release date: | 2000-07-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structures of Giardia lamblia guanine phosphoribosyltransferase at 1.75 A(,).
Biochemistry, 39, 2000
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1DMI
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 6S-H4B | | Descriptor: | 6S-5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ... | | Authors: | Raman, C.S, Li, H, Martasek, P, Kotsonis, P, Pfleiderer, W, Schmidt, H.H.H.W, Masters, B.S.S, Poulos, T.L. | | Deposit date: | 1999-12-14 | | Release date: | 2000-12-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with the Pterin Analogues
To be Published
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1DSR
 | | Peptide antibiotic, NMR, 6 structures | | Descriptor: | (2Z,4E)-7-methylocta-2,4-dienoic acid, RAMOPLANIN A2, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose | | Authors: | Kurz, M, Guba, W. | | Deposit date: | 1996-07-05 | | Release date: | 1997-02-12 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | 3D Structure of Ramoplanin: A Potent Inhibitor of Bacterial Cell Wall Synthesis.
Biochemistry, 35, 1996
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6C8I
 | | RNA-activated 2-AIpG monomer complex, 5 min soaking | | Descriptor: | 5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]guanosine, MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G)-3') | | Authors: | Zhang, W, Szostak, J.W. | | Deposit date: | 2018-01-24 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystallographic observation of nonenzymatic RNA primer extension.
Elife, 7, 2018
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6C8L
 | | RNA-activated 2-AIpG monomer complex, 1h soaking | | Descriptor: | 2-amino-1-[(R)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-3-[(S)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-1H-imidazol-3-ium, MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G)-3') | | Authors: | Zhang, W, Szostak, J.W. | | Deposit date: | 2018-01-25 | | Release date: | 2018-05-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystallographic observation of nonenzymatic RNA primer extension.
Elife, 7, 2018
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1DTV
 | | NMR STRUCTURE OF THE LEECH CARBOXYPEPTIDASE INHIBITOR (LCI) | | Descriptor: | CARBOXYPEPTIDASE INHIBITOR | | Authors: | Reverter, D, Fernandez-Catalan, C, Bode, W, Holak, T.A, Aviles, F.X. | | Deposit date: | 2000-01-13 | | Release date: | 2000-07-19 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | Structure of a novel leech carboxypeptidase inhibitor determined free in solution and in complex with human carboxypeptidase A2.
Nat.Struct.Biol., 7, 2000
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1DU5
 | | THE CRYSTAL STRUCTURE OF ZEAMATIN. | | Descriptor: | ZEAMATIN | | Authors: | Batalia, M.A, Monzingo, A.F, Ernst, S, Roberts, W, Robertus, J.D. | | Deposit date: | 2000-01-14 | | Release date: | 2000-02-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of the antifungal protein zeamatin, a member of the thaumatin-like, PR-5 protein family.
Nat.Struct.Biol., 3, 1996
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6BLO
 | | Pol II elongation complex with an abasic lesion at i+1 position | | Descriptor: | DNA (5'-D(P*AP*(3DR)P*CP*TP*CP*TP*CP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | | Authors: | Wang, W, Wang, D. | | Deposit date: | 2017-11-10 | | Release date: | 2018-02-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.401 Å) | | Cite: | Structural basis of transcriptional stalling and bypass of abasic DNA lesion by RNA polymerase II.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6BRF
 | | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4b | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine, CALCIUM ION, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2017-11-30 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
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6BYO
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1G2O
 | | CRYSTAL STRUCTURE OF PURINE NUCLEOSIDE PHOSPHORYLASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH A TRANSITION-STATE INHIBITOR | | Descriptor: | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, PHOSPHATE ION, PURINE NUCLEOSIDE PHOSPHORYLASE | | Authors: | Shi, W, Basso, L.A, Tyler, P.C, Furneaux, R.H, Blanchard, J.S, Almo, S.C, Schramm, V.L. | | Deposit date: | 2000-10-20 | | Release date: | 2001-08-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structures of purine nucleoside phosphorylase from Mycobacterium tuberculosis in complexes with immucillin-H and its pieces.
Biochemistry, 40, 2001
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1GHY
 | | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | | Descriptor: | 2-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, CALCIUM ION, ... | | Authors: | Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W. | | Deposit date: | 2001-01-22 | | Release date: | 2002-01-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
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6BZ4
 | | Human IgG1 lacking complement-dependent cytotoxicity: hu3S193 Fc mutant K322A | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Farrugia, W, Burvenich, I.G.J, Scott, A.M, Ramsland, P.A. | | Deposit date: | 2017-12-22 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Global conformational changes in IgG-Fc upon mutation of the FcRn-binding site are not associated with altered antibody-dependent effector functions.
Biochem. J., 475, 2018
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