7Z53
 
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8Z69
 | | Crystal Structure of the second bromodomain of human BRD2 BD2 in complex with the inhibitor Y13195 | | Descriptor: | 1,2-ETHANEDIOL, 7-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl)-5-methyl-2-(2-phenyl-1H-imidazol-5-yl)furo[3,2-c]pyridin-4(5H)-one, BRD2_HUMAN, ... | | Authors: | Li, J, Hu, Q, Xu, H, Zhao, X, Zhang, C, Zhu, R, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2024-04-18 | | Release date: | 2024-12-11 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Discovery of the First BRD4 Second Bromodomain (BD2)-Selective Inhibitors.
J.Med.Chem., 67, 2024
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8T5I
 | | Crystal structure of human WDR5 in complex with MR4397 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[(1H-imidazol-1-yl)methyl]benzamide, ... | | Authors: | Kimani, S, Dong, A, Li, F, Loppnau, P, Ackloo, S, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-13 | | Release date: | 2023-08-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of human WDR5 in complex with MR4397
To be published
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6E3R
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6E3V
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6E3W
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8ZMQ
 | | Crystal Structure of the second bromodomain of human BRD4 BD2 in complex with the inhibitor Y13190 | | Descriptor: | 2-(2-(adamantan-1-yl)-4-ethyl-1H-imidazol-5-yl)-7-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl)-5-methylfuro[3,2-c]pyridin-4(5H)-one, BRD4_HUMAN, DIMETHYL SULFOXIDE, ... | | Authors: | Li, J, Hu, Q, Xu, H, Zhao, X, Zhang, C, Zhu, R, Wu, X, Zhang, Y, Xu, Y. | | Deposit date: | 2024-05-23 | | Release date: | 2024-12-11 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of the First BRD4 Second Bromodomain (BD2)-Selective Inhibitors.
J.Med.Chem., 67, 2024
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5HHI
 | | Structure of human DNA polymerase beta Host-Guest complexed with CBZ-platinated N7-G | | Descriptor: | DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*AP*GP*GP*AP*GP*CP*AP*GP*G)-3'), DNA (5'-D(P*CP*CP*TP*GP*CP*TP*CP*CP*TP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | | Authors: | Lee, S, Koag, M.-C. | | Deposit date: | 2016-01-11 | | Release date: | 2017-01-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.517 Å) | | Cite: | Synthesis, structure, and biological evaluation of a platinum-carbazole conjugate.
Chem Biol Drug Des, 91, 2018
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5DH4
 | | PDE10 complexed with 5-chloro-N-[(2,4-dimethylthiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine | | Descriptor: | 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione, 5-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine, MAGNESIUM ION, ... | | Authors: | Yan, Y. | | Deposit date: | 2015-08-29 | | Release date: | 2016-01-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of pyrazolopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorg.Med.Chem.Lett., 26, 2016
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6HQ7
 | | Structure of EAL Enzyme Bd1971 - cGMP bound form | | Descriptor: | CYCLIC GUANOSINE MONOPHOSPHATE, EAL Enzyme Bd1971, MAGNESIUM ION | | Authors: | Lovering, A.L, Cadby, I.T. | | Deposit date: | 2018-09-24 | | Release date: | 2019-07-31 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Nucleotide signaling pathway convergence in a cAMP-sensing bacterial c-di-GMP phosphodiesterase.
Embo J., 38, 2019
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8R3Y
 | | Cryo EM structure of a stable LGL/aPKC Iota/Par-6 complex | | Descriptor: | Lethal(2) giant larvae protein homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Partitioning defective 6 homolog alpha, ... | | Authors: | Earl, C.P, Briggs, D.C, McDonald, N.Q. | | Deposit date: | 2023-11-10 | | Release date: | 2024-11-20 | | Last modified: | 2025-04-23 | | Method: | ELECTRON MICROSCOPY (3.68 Å) | | Cite: | Capture, mutual inhibition and release mechanism for aPKC-Par6 and its multisite polarity substrate Lgl.
Nat.Struct.Mol.Biol., 32, 2025
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1PYJ
 | | Solution Structure of an O6-[4-oxo-4-(3-pyridyl)butyl]guanine adduct in an 11mer DNA duplex | | Descriptor: | 5'-D(*CP*CP*AP*TP*AP*TP*GP*GP*CP*CP*C)-3', 5'-D*GP*GP*GP*CP*CP*AP*TP*AP*TP*GP*G)-3' | | Authors: | Peterson, L.A, Vu, C, Hingerty, B.E, Broyde, S, Cosman, M. | | Deposit date: | 2003-07-09 | | Release date: | 2004-04-20 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of an O6-[4-oxo-4-(3-pyridyl)butyl]guanine adduct in an 11 mer DNA duplex: evidence for formation of a base triplex.
Biochemistry, 42, 2003
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8U85
 | | Structural Basis of Human NOX5 Activation | | Descriptor: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Cui, C, Jiang, M, Sun, J. | | Deposit date: | 2023-09-15 | | Release date: | 2024-05-01 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis of human NOX5 activation.
Nat Commun, 15, 2024
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8U87
 | | Structural Basis of Human NOX5 Activation | | Descriptor: | DODECANE, FLAVIN-ADENINE DINUCLEOTIDE, HEME B/C, ... | | Authors: | Cui, C, Jiang, M, Sun, J. | | Deposit date: | 2023-09-16 | | Release date: | 2024-05-01 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.86 Å) | | Cite: | Structural basis of human NOX5 activation.
Nat Commun, 15, 2024
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8U86
 | | Structural Basis of Human NOX5 Activation | | Descriptor: | DECANE, DODECANE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Cui, C, Jiang, M, Sun, J. | | Deposit date: | 2023-09-15 | | Release date: | 2024-05-01 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis of human NOX5 activation.
Nat Commun, 15, 2024
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6ROA
 | | Crystal structure of V57G mutant of human cystatin C | | Descriptor: | Cystatin-C | | Authors: | Orlikowska, M, Behrendt, I, Borek, D, Otwinowski, Z, Skowron, P, Szymanska, A. | | Deposit date: | 2019-05-10 | | Release date: | 2019-08-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | NMR and crystallographic structural studies of the extremely stable monomeric variant of human cystatin C with single amino acid substitution.
Febs J., 287, 2020
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8A5L
 | | TRIM7 PRYSPRY in complex with a 2BC peptide TIEALFQ | | Descriptor: | 2BC peptide TIEALFQ, D(-)-TARTARIC ACID, E3 ubiquitin-protein ligase TRIM7 | | Authors: | Luptak, J. | | Deposit date: | 2022-06-15 | | Release date: | 2022-07-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.622 Å) | | Cite: | TRIM7 Restricts Coxsackievirus and Norovirus Infection by Detecting the C-Terminal Glutamine Generated by 3C Protease Processing.
Viruses, 14, 2022
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8A2B
 | | EGFR kinase domain (L858R/V948R) in complex with 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-1-oxo-4-(trifluoromethyl)isoindolin-2-yl]-N-thiazol-2-yl-acetamide | | Descriptor: | (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxidanylidene-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)ethanamide, Epidermal growth factor receptor | | Authors: | Kuglstatter, A, Ehler, A. | | Deposit date: | 2022-06-03 | | Release date: | 2022-10-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Discovery of Novel Allosteric EGFR L858R Inhibitors for the Treatment of Non-Small-Cell Lung Cancer as a Single Agent or in Combination with Osimertinib.
J.Med.Chem., 65, 2022
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8A2A
 | | EGFR kinase domain in complex with 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-1-oxo-4-(trifluoromethyl)isoindolin-2-yl]-N-thiazol-2-yl-acetamide (form 2) | | Descriptor: | (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxidanylidene-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)ethanamide, Epidermal growth factor receptor, SULFATE ION | | Authors: | Kuglstatter, A, Ehler, A. | | Deposit date: | 2022-06-03 | | Release date: | 2022-10-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Discovery of Novel Allosteric EGFR L858R Inhibitors for the Treatment of Non-Small-Cell Lung Cancer as a Single Agent or in Combination with Osimertinib.
J.Med.Chem., 65, 2022
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6EQ9
 | | Crystal structure of JNK3 in complex with AMP-PCP | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Macedo, J.T, Stehle, T, Blaum, B.S. | | Deposit date: | 2017-10-12 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38 alpha Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3.
ACS Omega, 3, 2018
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4O7G
 | | Crystal Structure of Ascorbate-bound Cytochrome b561, crystal soaked in 1 M L-ascorbate for 40 minutes | | Descriptor: | ASCORBIC ACID, PROTOPORPHYRIN IX CONTAINING FE, Probable transmembrane ascorbate ferrireductase 2, ... | | Authors: | Lu, P, Ma, D, Yan, C, Gong, X, Du, M, Shi, Y. | | Deposit date: | 2013-12-24 | | Release date: | 2014-02-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.211 Å) | | Cite: | Structure and mechanism of a eukaryotic transmembrane ascorbate-dependent oxidoreductase
Proc.Natl.Acad.Sci.USA, 111, 2014
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1CCB
 | | THE ASP-HIS-FE TRIAD OF CYTOCHROME C PEROXIDASE CONTROLS THE REDUCTION POTENTIAL, ELECTRONIC STRUCTURE, AND COUPLING OF THE TRYPTOPHAN FREE-RADICAL TO THE HEME | | Descriptor: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Goodin, D.B, Mcree, D.E. | | Deposit date: | 1993-01-04 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Asp-His-Fe triad of cytochrome c peroxidase controls the reduction potential, electronic structure, and coupling of the tryptophan free radical to the heme.
Biochemistry, 32, 1993
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1YHP
 | | Solution Structure of Ca2+-free DdCAD-1 | | Descriptor: | Calcium-dependent cell adhesion molecule-1 | | Authors: | Lin, Z, Huang, H.B, Siu, C.H, Yang, D.W. | | Deposit date: | 2005-01-10 | | Release date: | 2006-01-31 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the adhesion molecule DdCAD-1 reveal new insights into Ca(2+)-dependent cell-cell adhesion
Nat.Struct.Mol.Biol., 13, 2006
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5UEO
 | | BRD4_BD2_A-1395017 | | Descriptor: | Bromodomain-containing protein 4, N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]ethanesulfonamide | | Authors: | Park, C.H. | | Deposit date: | 2017-01-03 | | Release date: | 2017-06-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Complex structure of BRD4_BD2_A-1395017
To Be Published
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6OVM
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