7UCA
| Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 65 K | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ... | Authors: | Plapp, B.V, Gakhar, L. | Deposit date: | 2022-03-16 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases Acta Crystallogr.,Sect.D, D78, 2022
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7UHW
| Horse liver alcohol dehydrogenase G173A, complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol at 120 K | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | Authors: | Plapp, B.V, Gakhar, L. | Deposit date: | 2022-03-27 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases Acta Crystallogr.,Sect.D, D78, 2022
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6X83
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7UHX
| Horse liver alcohol dehydrogenase G173A, complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol at 150 K | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | Authors: | Plapp, B.V, Gakhar, L. | Deposit date: | 2022-03-27 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases Acta Crystallogr.,Sect.D, D78, 2022
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7UDD
| Horse liver alcohol dehydrogenase complexed with NAD+ and 2,2,2-trifluoroethanol at 150 K | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ... | Authors: | Plapp, B.V, Gakhar, L. | Deposit date: | 2022-03-18 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases Acta Crystallogr.,Sect.D, D78, 2022
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7UHV
| Horse liver alcohol dehydrogenase G173A, complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol at 50 K | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | Authors: | Plapp, B.V, Gakhar, L. | Deposit date: | 2022-03-27 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases Acta Crystallogr.,Sect.D, D78, 2022
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3GI4
| Crystal structure of protease inhibitor, KB60 in complex with wild type HIV-1 protease | Descriptor: | 5S)-N-[(1S,2R)-3-[(1,3-Benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-oxo-3-[3-(tr ifluoromethyl)phenyl]-5-oxazolidinecarboxamide, ACETATE ION, PHOSPHATE ION, ... | Authors: | Nalam, M.N.L, Schiffer, C.A. | Deposit date: | 2009-03-05 | Release date: | 2010-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Evaluating the substrate-envelope hypothesis: structural analysis of novel HIV-1 protease inhibitors designed to be robust against drug resistance. J.Virol., 84, 2010
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1FWM
| Crystal structure of the thymidylate synthase R166Q mutant | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, SULFATE ION, THYMIDYLATE SYNTHASE | Authors: | Sotelo-Mundo, R.R, Changchien, L, Maley, F, Montfort, W.R. | Deposit date: | 2000-09-23 | Release date: | 2003-11-11 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of thymidylate synthase mutant R166Q: Structural basis for the nearly complete loss of catalytic activity. J.Biochem.Mol.Toxicol., 20, 2006
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3JUS
| Crystal structure of human lanosterol 14alpha-demethylase (CYP51) in complex with econazole | Descriptor: | 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), ... | Authors: | Strushkevich, N, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Usanov, S.A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-15 | Release date: | 2010-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of human CYP51 inhibition by antifungal azoles. J. Mol. Biol., 397, 2010
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1OAU
| Fv Structure of the IgE SPE-7 in complex with DNP-Ser (immunising hapten) | Descriptor: | 2,4-DINITROPHENOL, IMIDAZOLE, IMMUNOGLOBULIN E, ... | Authors: | James, L.C, Roversi, P, Tawfik, D. | Deposit date: | 2003-01-21 | Release date: | 2004-01-15 | Last modified: | 2013-10-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Antibody Multispecificity Mediated by Conformational Diversity Science, 299, 2003
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1G4C
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6E3L
| Interferon gamma signalling complex with IFNGR1 and IFNGR2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, ... | Authors: | Jude, K.M, Mendoza, J.L, Garcia, K.C. | Deposit date: | 2018-07-14 | Release date: | 2019-02-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structure of the IFN gamma receptor complex guides design of biased agonists. Nature, 567, 2019
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5A31
| Structure of the human APC-Cdh1-Hsl1-UbcH10 complex. | Descriptor: | ANAPHASE-PROMOTING COMPLEX SUBUNIT 1, ANAPHASE-PROMOTING COMPLEX SUBUNIT 10, ANAPHASE-PROMOTING COMPLEX SUBUNIT 11, ... | Authors: | Chang, L, Zhang, Z, Yang, J, Mclaughlin, S.H, Barford, D. | Deposit date: | 2015-05-26 | Release date: | 2015-11-18 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Atomic Structure of the Apc/C and its Mechanism of Protein Ubiquitination. Nature, 522, 2015
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5URB
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8H53
| Human asparaginyl-tRNA synthetase in complex with asparagine-AMP | Descriptor: | 4-AMINO-1,4-DIOXOBUTAN-2-AMINIUM ADENOSINE-5'-MONOPHOSPHATE, Asparagine--tRNA ligase, cytoplasmic, ... | Authors: | Park, J.S, Han, B.W. | Deposit date: | 2022-10-12 | Release date: | 2023-10-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase. Nat Commun, 15, 2024
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3G5Z
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8HMG
| The open state of RGLG2-VWA | Descriptor: | CALCIUM ION, E3 ubiquitin-protein ligase RGLG2, MAGNESIUM ION, ... | Authors: | Wang, Q. | Deposit date: | 2022-12-03 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Ca2+-based Allosteric Switches and Shape Shifting in RGLG1 VWA domain To Be Published
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4I3Q
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4I9U
| Crystal structure of rabbit LDHA in complex with a fragment inhibitor AP26256 | Descriptor: | 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | Authors: | Zhou, T, Kohlmann, A, Stephan, Z.G, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C. | Deposit date: | 2012-12-05 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
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4U6Y
| Crystal Structure of HLA-A*0201 in complex with FLNDK, a 15 mer self-peptide | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gras, S, Chabrol, E, Rossjohn, J. | Deposit date: | 2014-07-30 | Release date: | 2014-12-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.467 Å) | Cite: | Naturally Processed Non-canonical HLA-A*02:01 Presented Peptides. J.Biol.Chem., 290, 2015
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3ILY
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7NPY
| C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 6-benzyl-N2-methyl-N4-((1S,2S)-2-methylcyclopropyl)pyridine-2,4-dicarboxamide | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-(phenylmethyl)pyridine-2,4-dicarboxamide | Authors: | Chung, C. | Deposit date: | 2021-02-28 | Release date: | 2021-07-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Identification of a Series of N -Methylpyridine-2-carboxamides as Potent and Selective Inhibitors of the Second Bromodomain (BD2) of the Bromo and Extra Terminal Domain (BET) Proteins. J.Med.Chem., 64, 2021
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2FLJ
| Fatty acid binding protein from locust flight muscle in complex with oleate | Descriptor: | Fatty acid-binding protein, OLEIC ACID | Authors: | Luecke, C, Qiao, Y, van Moerkerk, H.T.B, Veerkamp, J.H, Hamilton, J.A. | Deposit date: | 2006-01-06 | Release date: | 2006-05-23 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Fatty-acid-binding protein from the flight muscle of Locusta migratoria: evolutionary variations in fatty acid binding. Biochemistry, 45, 2006
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4U6X
| Crystal Structure of HLA-A*0201 in complex with ALQDA, a 15 mer self-peptide | Descriptor: | ALQDA peptide, ALQDAGDSSRKEYFI, Beta-2-microglobulin, ... | Authors: | Gras, S, Chabrol, E, Rossjohn, J. | Deposit date: | 2014-07-30 | Release date: | 2014-12-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Naturally Processed Non-canonical HLA-A*02:01 Presented Peptides. J.Biol.Chem., 290, 2015
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8EVA
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