8P9G
 
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB390 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[(~{E})-(6-methyl-7-oxidanyl-1~{H}-indol-4-yl)diazenyl]benzamide | | Authors: | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-06 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
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8P9H
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB437 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-2-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)quinoline-6-carboxamide | | Authors: | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-06 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
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8P9F
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB161 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-(2-azanyl-5-methyl-4-oxidanyl-phenyl)hydrazinyl]benzamide | | Authors: | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-06 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
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8U1L
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8P9L
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB512 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-azanyl-5-phenyl-phenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide | | Authors: | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-06 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
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6CE0
 | | Crystal structure of a HIV-1 clade B tier-3 isolate H078.14 UFO-BG Env trimer in complex with broadly neutralizing Fabs PGT124 and 35O22 at 4.6 Angstrom | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 Heavy chain, ... | | Authors: | Kumar, S, Sarkar, A, Wilson, I.A. | | Deposit date: | 2018-02-09 | | Release date: | 2018-12-05 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (4.602 Å) | | Cite: | HIV-1 vaccine design through minimizing envelope metastability.
Sci Adv, 4, 2018
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7O01
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1W5W
 | | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | | Descriptor: | (2R,3R,4R,5R)-2,5-BIS[(2,4-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1R,2S)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE, POL POLYPROTEIN | | Authors: | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | | Deposit date: | 2004-08-10 | | Release date: | 2004-12-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy
Eur.J.Biochem., 271, 2004
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1W0T
 | | hTRF1 DNA-binding domain in complex with telomeric DNA. | | Descriptor: | 5'-D(*CP*TP*GP*TP*TP*AP*GP*GP*GP*TP *TP*AP*GP*GP*GP*TP*TP*AP*G)-3', 5'-D(*TP*CP*TP*AP*AP*CP*CP*CP*TP*AP *AP*CP*CP*CP*TP*AP*AP*CP*A)-3', TELOMERIC REPEAT BINDING FACTOR 1 | | Authors: | Court, R.I, Chapman, L.M, Fairall, L, Rhodes, D. | | Deposit date: | 2004-06-11 | | Release date: | 2004-12-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | How the Human Telomeric Proteins Trf1 and Trf2 Recognize Telomeric DNA: A View from High-Resolution Crystal Structures
Embo Rep., 6, 2005
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1W2O
 | | Deacetoxycephalosporin C synthase (with a N-terminal his-tag) in complex with Fe(II) and deacetoxycephalosporin C | | Descriptor: | DEACETOXYCEPHALOSPORIN C SYNTHASE, DEACETOXYCEPHALOSPORIN-C, FE (III) ION | | Authors: | Oster, L.M, Terwisscha Van Scheltinga, A.C, Valegard, K, Mackenzie Hose, A, Dubus, A, Hajdu, J, Andersson, I. | | Deposit date: | 2004-07-07 | | Release date: | 2004-09-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Conformational Flexibility of the C Terminus with Implications for Substrate Binding and Catalysis Revealed in a New Crystal Form of Deacetoxycephalosporin C Synthase
J.Mol.Biol., 343, 2004
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7RRM
 | | Structure of the human TMED1 (p24gamma1) Golgi dynamics Domain | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Transmembrane emp24 domain-containing protein 1 | | Authors: | Mota, D.C.A.M, Cardoso, I.A, Mori, R.M, Mendes, L.F.S, Nonato, M.C, Filho, A.J.C. | | Deposit date: | 2021-08-10 | | Release date: | 2021-10-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structural and thermodynamic analyses of human TMED1 (p24 gamma 1) Golgi dynamics.
Biochimie, 192, 2022
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7S4Z
 | | Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Proteinase K | | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | | Authors: | Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X. | | Deposit date: | 2021-09-09 | | Release date: | 2021-10-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Serial macromolecular crystallography at ALBA Synchrotron Light Source.
J.Synchrotron Radiat., 29, 2022
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8P6Y
 | | Cryo-EM structure of CAK in complex with nucleotide analogue ATPgS | | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | | Deposit date: | 2023-05-30 | | Release date: | 2023-08-30 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (1.9 Å) | | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
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1VVD
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7S4W
 | | Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Lysozyme | | Descriptor: | CHLORIDE ION, Lysozyme C | | Authors: | Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X. | | Deposit date: | 2021-09-09 | | Release date: | 2021-10-27 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Serial macromolecular crystallography at ALBA Synchrotron Light Source.
J.Synchrotron Radiat., 29, 2022
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1VVE
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8P6V
 | | Cryo-EM structure of CAK in complex with inhibitor ICEC0942 | | Descriptor: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | | Deposit date: | 2023-05-30 | | Release date: | 2023-08-30 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (1.9 Å) | | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
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1WBJ
 | | wildtype tryptophan synthase complexed with glycerol phosphate | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, SN-GLYCEROL-3-PHOSPHATE, SODIUM ION, ... | | Authors: | Kulik, V, Weyand, M, Schlichting, I. | | Deposit date: | 2004-11-01 | | Release date: | 2006-05-24 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | On the Structural Basis of the Catalytic Mechanism and the Regulation of the Alpha Subunit of Tryptophan Synthase from Salmonella Typhimurium and Bx1 from Maize, Two Evolutionarily Related Enzymes.
J.Mol.Biol., 352, 2005
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7S4R
 | | Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - alpha Spectrin-SH3 domain | | Descriptor: | Spectrin alpha chain, non-erythrocytic 1 | | Authors: | Martin-Garcia, J.M, Botha, S, Hu, H, Jernigan, R, Castellvi, A, Lisova, S, Gil, F, Calisto, B, Crespo, I, Roy-Chowdbury, S, Grieco, A, Ketawala, G, Weierstall, U, Spence, J, Fromme, P, Zatsepin, N, Boer, R, Carpena, X. | | Deposit date: | 2021-09-09 | | Release date: | 2021-10-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Serial macromolecular crystallography at ALBA Synchrotron Light Source.
J.Synchrotron Radiat., 29, 2022
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8TY7
 | | Crystal structure of 05.GC.w2.3C10 Fab in complex with H1 HA from A/California/04/2009(H1N1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GC_w2_3C10, heavy chain, ... | | Authors: | Lin, T.H, Moore, N, Wilson, I.A. | | Deposit date: | 2023-08-24 | | Release date: | 2024-06-26 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | Maturation of germinal center B cells after influenza virus vaccination in humans.
J.Exp.Med., 221, 2024
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8P8A
 | | Structure of 5D3-Fab and nanobody(Nb17)-bound ABCG2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3(Fab) heavy chain variable domain, 5D3(Fab) light chain variable domain, ... | | Authors: | Irobalieva, R.N, Manolaridis, I, Jackson, S.M, Ni, D, Pardon, E, Stahlberg, H, Steyaert, J, Locher, K.P. | | Deposit date: | 2023-05-31 | | Release date: | 2023-08-30 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural Basis of the Allosteric Inhibition of Human ABCG2 by Nanobodies.
J.Mol.Biol., 435, 2023
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1WLT
 | | Crystal Structure of dTDP-4-dehydrorhamnose 3,5-epimerase homologue from Sulfolobus tokodaii | | Descriptor: | 176aa long hypothetical dTDP-4-dehydrorhamnose 3,5-epimerase | | Authors: | Watanabe, N, Sakai, N, Zilian, Z, Kawarabayasi, Y, Tanaka, I. | | Deposit date: | 2004-06-29 | | Release date: | 2005-07-26 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of dTDP-4-dehydrorhamnose 3,5-epimerase homologue
to be published
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8TXP
 | | Crystal structure of 05.GC.w13.01 Fab in complex with H1 HA from A/California/04/2009(H1N1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GC_w13_A, Fab heavy chain, ... | | Authors: | Lin, T.H, Moore, N, Wilson, I.A. | | Deposit date: | 2023-08-24 | | Release date: | 2024-06-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Maturation of germinal center B cells after influenza virus vaccination in humans.
J.Exp.Med., 221, 2024
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1WMI
 | | Crystal structure of archaeal RelE-RelB complex from Pyrococcus horikoshii OT3 | | Descriptor: | hypothetical protein PHS013, hypothetical protein PHS014 | | Authors: | Takagi, H, Kakuta, Y, Kamachi, R, Yao, M, Tanaka, I, Kimura, M. | | Deposit date: | 2004-07-09 | | Release date: | 2005-03-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of archaeal toxin-antitoxin RelE-RelB complex with implications for toxin activity and antitoxin effects
Nat.Struct.Mol.Biol., 12, 2005
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6I8F
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