3ML6
 
 | | a complex between Dishevelled2 and clathrin adaptor AP-2 | | Descriptor: | Chimeric complex between protein Dishevelled2 homolog dvl-2 and clathrin adaptor AP-2 complex subunit mu | | Authors: | Yu, A, Xing, Y, Harrison, S.C, Kirchhausen, T.L. | | Deposit date: | 2010-04-16 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural analysis of the interaction between Dishevelled2 and clathrin AP-2 adaptor, a critical step in noncanonical Wnt signaling.
Structure, 18, 2010
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3QRX
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5M39
 | | Crystal structure of BRD4 BROMODOMAIN 1 IN COMPLEX WITH LIGAND 1 | | Descriptor: | 6-(3,4-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine, Bromodomain-containing protein 4 | | Authors: | Kessler, D, Mayer, M, Engelhardt, H, Wolkerstorfer, B, Geist, L. | | Deposit date: | 2016-10-14 | | Release date: | 2017-09-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Direct NMR Probing of Hydration Shells of Protein Ligand Interfaces and Its Application to Drug Design.
J. Med. Chem., 60, 2017
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6U76
 | | Structure of methanesulfinate monooxygenase MsuC from Pseudomonas fluorescens. | | Descriptor: | methanesulfinate monooxygenase | | Authors: | Soule, J, Gnann, A.D, Parker, M.J, McKenna, K.C, Nguyen, S.V, Phan, N.T, Wicht, D.K, Dowling, D.P. | | Deposit date: | 2019-08-31 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | To be published
To Be Published
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5HRS
 | | HIV Integrase Catalytic Domain containing F185K + A124N + T125A mutations complexed with GSK0002 | | Descriptor: | (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ... | | Authors: | Nolte, R.T. | | Deposit date: | 2016-01-24 | | Release date: | 2016-12-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
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3MM5
 | | Dissimilatory sulfite reductase in complex with the substrate sulfite | | Descriptor: | IRON/SULFUR CLUSTER, SIROHEME, SULFITE ION, ... | | Authors: | Parey, K, Warkentin, E, Kroneck, P.M.H, Ermler, U. | | Deposit date: | 2010-04-19 | | Release date: | 2010-07-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Reaction cycle of the dissimilatory sulfite reductase from Archaeoglobus fulgidus.
Biochemistry, 49, 2010
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5WRB
 | | Crystal structure of hen egg-white lysozyme | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Sugahara, M, Suzuki, M, Masuda, T, Inoue, S, Nango, E. | | Deposit date: | 2016-12-01 | | Release date: | 2017-12-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.013 Å) | | Cite: | Hydroxyethyl cellulose matrix applied to serial crystallography
Sci Rep, 7, 2017
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1SP4
 | | Crystal structure of NS-134 in complex with bovine cathepsin B: a two headed epoxysuccinyl inhibitor extends along the whole active site cleft | | Descriptor: | Cathepsin B, methyl N-[(2S)-4-{[(1S)-1-{[(2S)-2-carboxypyrrolidin-1-yl]carbonyl}-3-methylbutyl]amino}-2-hydroxy-4-oxobutanoyl]-L-leucylglycylglycinate | | Authors: | Stern, I, Schaschke, N, Moroder, L, Turk, D. | | Deposit date: | 2004-03-16 | | Release date: | 2004-05-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of NS-134 in complex with bovine cathepsin B: a two-headed epoxysuccinyl inhibitor extends along the entire active-site cleft.
Biochem.J., 381, 2004
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107D
 | | SOLUTION STRUCTURE OF THE COVALENT DUOCARMYCIN A-DNA DUPLEX COMPLEX | | Descriptor: | 4-HYDROXY-2,8-DIMETHYL-1-OXO-6-(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-1,2,3,6,7,8-HEXAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER, DNA (5'-D(*CP*CP*TP*TP*TP*TP*C)-3'), DNA (5'-D(*GP*AP*AP*AP*AP*GP*G)-3') | | Authors: | Lin, C.H, Patel, D.J. | | Deposit date: | 1995-01-17 | | Release date: | 1995-05-08 | | Last modified: | 2024-03-13 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the covalent duocarmycin A-DNA duplex complex.
J.Mol.Biol., 248, 1995
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1SQ5
 | | Crystal Structure of E. coli Pantothenate kinase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, PANTOTHENOIC ACID, Pantothenate kinase | | Authors: | Ivey, R.A, Zhang, Y.-M, Virga, K.G, Hevener, K, Lee, R.E, Rock, C.O, Jackowski, S, Park, H.-W. | | Deposit date: | 2004-03-17 | | Release date: | 2004-09-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The structure of the pantothenate kinase.ADP.pantothenate ternary complex reveals the relationship between the binding sites for substrate, allosteric regulator, and antimetabolites.
J.Biol.Chem., 279, 2004
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7Y5K
 | | Crystal structure of human CAF-1 core complex in spacegroup C2221 | | Descriptor: | Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, GLYCEROL, ... | | Authors: | Liu, C.P, Wang, M.Z, Xu, R.M. | | Deposit date: | 2022-06-17 | | Release date: | 2023-08-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.48 Å) | | Cite: | Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
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5ABH
 | | Structure of GH84 with ligand | | Descriptor: | 1,2-ETHANEDIOL, 2-[(2R,3S,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION, ... | | Authors: | Bergeron-Brlek, M, Goodwin-Tindall, J, Cekic, N, Varghese, V, Zandberg, W.F, Shan, X, Roth, C, Chan, S, Davies, G.J, Vocadlo, D.J, Britton, R. | | Deposit date: | 2015-08-05 | | Release date: | 2015-11-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015
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7Y5O
 | | Crystal structure of human CAF-1 core complex in spacegroup P21 | | Descriptor: | Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, GLYCEROL, ... | | Authors: | Liu, C.P, Wang, M.Z, Xu, R.M. | | Deposit date: | 2022-06-17 | | Release date: | 2023-08-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.57 Å) | | Cite: | Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
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5HOT
 | | Structural Basis for Inhibitor-Induced Aggregation of HIV-1 Integrase | | Descriptor: | (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid, Integrase | | Authors: | Gupta, K, Turkki, V, Sherrill-Mix, S, Hwang, Y, Eilers, G, Taylor, L, McDanal, C, Wang, P, Temelkoff, D, Nolte, R, Velthuisen, E, Jeffrey, J, Van Duyne, G.D, Bushman, F.D. | | Deposit date: | 2016-01-19 | | Release date: | 2016-12-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (4.4 Å) | | Cite: | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
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8H61
 | | Ketoreductase CpKR mutant - M2 | | Descriptor: | Mutant M2 of ketoreductase CpKR, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Chen, C, Pan, J, Xu, J.H. | | Deposit date: | 2022-10-14 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Computational redesign of a robust ketoreductase for asymmetric synthesis of enantiopure diltiazem precursor.
To Be Published
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7Y5V
 | | Cryo-EM structure of the dimeric human CAF1LC-H3-H4 complex | | Descriptor: | Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ... | | Authors: | Liu, C.P, Yu, C, Yu, Z.Y, Xu, R.M. | | Deposit date: | 2022-06-17 | | Release date: | 2023-08-16 | | Last modified: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (6.1 Å) | | Cite: | Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
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7Y5U
 | | Cryo-EM structure of the monomeric human CAF1LC-H3-H4 complex | | Descriptor: | Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ... | | Authors: | Liu, C.P, Yu, Z.Y, Yu, C, Xu, R.M. | | Deposit date: | 2022-06-17 | | Release date: | 2023-08-16 | | Last modified: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
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5LZ0
 | | Llama nanobody PorM_01 | | Descriptor: | PorM nanobody | | Authors: | Duhoo, Y, Leone, P, Roussel, A. | | Deposit date: | 2016-09-29 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Camelid nanobodies used as crystallization chaperones for different constructs of PorM, a component of the type IX secretion system from Porphyromonas gingivalis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
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6UBR
 | | Crystal structure of D678A GoxA bound to glycine at pH 7.5 | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCINE, MAGNESIUM ION, ... | | Authors: | Yukl, E.T, Avalos, D. | | Deposit date: | 2019-09-12 | | Release date: | 2019-10-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Kinetic and structural evidence that Asp-678 plays multiple roles in catalysis by the quinoprotein glycine oxidase.
J.Biol.Chem., 294, 2019
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8H6A
 | | Crystal structure of AtHPPD complexed with YH21477 | | Descriptor: | 1-[(2-chlorophenyl)methyl]-3-methyl-N-(1-methyl-1,2,3,4-tetrazol-5-yl)-2-oxidanylidene-benzimidazole-4-carboxamide, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Yang, G.-F. | | Deposit date: | 2022-10-16 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Crystal structure of AtHPPD complexed with YH20702
To Be Published
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8BXG
 | | Structure of the K/H exchanger KefC. | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ADENOSINE MONOPHOSPHATE, Glutathione-regulated potassium-efflux system protein KefC, ... | | Authors: | Gulati, A, Drew, D. | | Deposit date: | 2022-12-08 | | Release date: | 2023-12-20 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Structure and mechanism of the K + /H + exchanger KefC.
Nat Commun, 15, 2024
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1I2T
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7Y5L
 | | Crystal structure of human CAF-1 core complex in spacegroup C2 | | Descriptor: | Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, GLYCEROL, ... | | Authors: | Liu, C.P, Wang, M.Z, Xu, R.M. | | Deposit date: | 2022-06-17 | | Release date: | 2023-08-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.42 Å) | | Cite: | Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
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5WW5
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1I35
 | | SOLUTION STRUCTURE OF THE RAS-BINDING DOMAIN OF THE PROTEIN KINASE BYR2 FROM SCHIZOSACCHAROMYCES POMBE | | Descriptor: | PROTEIN KINASE BYR2 | | Authors: | Gronwald, W, Huber, F, Grunewald, P, Sporner, M, Wohlgemuth, S, Herrmann, C, Kalbitzer, H.R. | | Deposit date: | 2001-02-13 | | Release date: | 2001-12-12 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the Ras binding domain of the protein kinase Byr2 from Schizosaccharomyces pombe.
Structure, 9, 2001
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