1HH9
 
 | | ANTI-P24 (HIV-1) FAB FRAGMENT CB41 COMPLEXED WITH A PEPTIDE | | Descriptor: | IGG2A KAPPA ANTIBODY CB41 (HEAVY CHAIN), IGG2A KAPPA ANTIBODY CB41 (LIGHT CHAIN), PEP-2 | | Authors: | Hahn, M, Wessner, H, Schneider-Mergener, J, Hohne, W. | | Deposit date: | 2000-12-21 | | Release date: | 2001-01-12 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Evolutionary Transition Pathways for Changing Peptide Ligand Specificity and Structure
Embo J., 19, 2000
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2DVF
 | | Crystals of peanut lectin grown in the presence of GAL-ALPHA-1,3-GAL-BETA-1,4-GAL | | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | | Authors: | Natchiar, S.K, Srinivas, O, Mitra, N, Surolia, A, Jayaraman, N, Vijayan, M. | | Deposit date: | 2006-07-31 | | Release date: | 2006-11-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Structural studies on peanut lectin complexed with disaccharides involving different linkages: further insights into the structure and interactions of the lectin
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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5SEU
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c2(cn1nc(nc1cc2)CCc3nc(nn3C)N4CCCC4)C(F)(F)F, micromolar IC50=0.541196 | | Descriptor: | (4R)-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-6-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Joseph, C, Lerner, C, Benz, J, Schlatter, D, Rudolph, M.G. | | Deposit date: | 2022-01-21 | | Release date: | 2022-10-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios.
J.Comput.Aided Mol.Des., 36, 2022
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2JST
 | | Four-Alpha-Helix Bundle with Designed Anesthetic Binding Pockets II: Halothane Effects on Structure and Dynamics | | Descriptor: | 2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE, Four-Alpha-Helix Bundle | | Authors: | Cui, T, Bondarenko, V, Ma, D, Canlas, C, Brandon, N.R, Johansson, J.S, Tang, P, Xu, Y. | | Deposit date: | 2007-07-12 | | Release date: | 2008-05-27 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Four-alpha-helix bundle with designed anesthetic binding pockets. Part II: halothane effects on structure and dynamics
Biophys.J., 94, 2008
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5PO5
 | | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10192a | | Descriptor: | 1,2-ETHANEDIOL, 2-[1-methyl-3-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]pyridine, Bromodomain-containing protein 1, ... | | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2017-02-07 | | Release date: | 2017-03-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.439 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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2A4D
 | | Structure of the human ubiquitin-conjugating enzyme E2 variant 1 (UEV-1) | | Descriptor: | Ubiquitin-conjugating enzyme E2 variant 1 | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-06-28 | | Release date: | 2005-07-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
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3A4A
 | | Crystal structure of isomaltase from Saccharomyces cerevisiae | | Descriptor: | CALCIUM ION, Oligo-1,6-glucosidase, alpha-D-glucopyranose | | Authors: | Yamamoto, K, Miyake, H, Kusunoki, M, Osaki, S. | | Deposit date: | 2009-07-01 | | Release date: | 2010-07-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of isomaltase from Saccharomyces cerevisiae and in complex with its competitive inhibitor maltose
Febs J., 277, 2010
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4HXE
 | | Pyrococcus horikoshii acylaminoacyl peptidase (uncomplexed) | | Descriptor: | HEXANE-1,6-DIOL, MAGNESIUM ION, Putative uncharacterized protein PH0594 | | Authors: | Tichy-Racs, E, Hornung, B, Radi, K, Menyhard, D.K, Kiss-Szeman, A, Szeltner, Z, Domokos, K, Szamosi, I, Naray-Szabo, G, Polgar, L, Harmat, V. | | Deposit date: | 2012-11-09 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | A Self-compartmentalizing Hexamer Serine Protease from Pyrococcus Horikoshii: SUBSTRATE SELECTION ACHIEVED THROUGH MULTIMERIZATION.
J.Biol.Chem., 288, 2013
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3OIB
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2A32
 | | Trypsin in complex with benzene boronic acid | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, BORATE ION, CALCIUM ION, ... | | Authors: | Transue, T.R, Gabel, S.A, London, R.E. | | Deposit date: | 2005-06-23 | | Release date: | 2006-07-04 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | NMR and crystallographic characterization of adventitious borate binding by trypsin.
Bioconjug.Chem., 17, 2006
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1VKB
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1VKK
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3P94
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3ADZ
 | | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with intermediate PSPP | | Descriptor: | Dehydrosqualene synthase, MAGNESIUM ION, {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate | | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E. | | Deposit date: | 2010-01-31 | | Release date: | 2010-11-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
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1VLQ
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3OVP
 | | Crystal Structure of hRPE | | Descriptor: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, FE (II) ION, Ribulose-phosphate 3-epimerase | | Authors: | Liang, W.G, Ouyang, S.Y, Shaw, N, Joachimiak, A, Zhang, R.G, Liu, Z.J. | | Deposit date: | 2010-09-16 | | Release date: | 2011-03-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.695 Å) | | Cite: | Conversion of D-ribulose 5-phosphate to D-xylulose 5-phosphate: new insights from structural and biochemical studies on human RPE
Faseb J., 25, 2011
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3TWC
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1MZF
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1VM8
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1VCT
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2J6C
 | | crystal structure of AFV3-109, a highly conserved protein from crenarchaeal viruses | | Descriptor: | AFV3-109, GLYCEROL | | Authors: | Keller, J, Leulliot, N, Cambillau, C, Campanacci, V, Porciero, S, Prangishvili, D, Cortez, D, Quevillon-Cheruel, S, Van Tilbeurgh, H. | | Deposit date: | 2006-09-27 | | Release date: | 2007-02-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal Structure of Afv3-109, a Highly Conserved Protein from Crenarchaeal Viruses.
Virol J., 4, 2007
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3LJ1
 | | IRE1 complexed with Cdk1/2 Inhibitor III | | Descriptor: | 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, Serine/threonine-protein kinase/endoribonuclease IRE1 | | Authors: | Lee, K.P.K, Sicheri, F. | | Deposit date: | 2010-01-25 | | Release date: | 2010-05-12 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.33 Å) | | Cite: | Flavonol activation defines an unanticipated ligand-binding site in the kinase-RNase domain of IRE1.
Mol.Cell, 38, 2010
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4HXR
 | | Brd4 Bromodomain 1 complex with N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]THIOPHENE-2-SULFONAMIDE inhibitor | | Descriptor: | Bromodomain-containing protein 4, N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide | | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | | Deposit date: | 2012-11-12 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
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4HY1
 | | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. | | Descriptor: | 6-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1H-isoindol-1-one, Topoisomerase IV, subunit B | | Authors: | Bensen, D.C, Creighton, C.J, Kwan, B, Tari, L.W. | | Deposit date: | 2012-11-12 | | Release date: | 2013-02-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
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1HK0
 | | Human GammaD Crystallin Structure at 1.25 A Resolution | | Descriptor: | Gamma-crystallin D | | Authors: | Basak, A.K, Slingsby, C. | | Deposit date: | 2003-03-05 | | Release date: | 2003-05-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | High-Resolution X-Ray Crystal Structures of Human Gammad Crystallin (1.25A) and the R58H Mutant (1.15A) Associated with Aculeiform Cataract
J.Mol.Biol., 328, 2003
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