6E83
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1FTA
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![BU of 1fta by Molmil](/molmil-images/mine/1fta) | FRUCTOSE-1,6-BISPHOSPHATASE(D-FRUCTOSE-1,6-BISPHOSPHATE, 1-PHOSPHOHYDROLASE) (E.C.3.1.3.11) COMPLEXED WITH THE ALLOSTERIC INHIBITOR AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, FRUCTOSE-1,6-BISPHOSPHATASE | Authors: | Zhang, Y, Liang, J.-Y, Huang, S, Lipscomb, W.N. | Deposit date: | 1993-09-27 | Release date: | 1995-11-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The allosteric site of human liver fructose-1,6-bisphosphatase. Analysis of six AMP site mutants based on the crystal structure. J.Biol.Chem., 269, 1994
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4XV3
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![BU of 4xv3 by Molmil](/molmil-images/mine/4xv3) | B-Raf Kinase V600E oncogenic mutant in complex with PLX7922 | Descriptor: | N'-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-N-ethyl-N-methylsulfuric diamide, Serine/threonine-protein kinase B-raf | Authors: | Zhang, Y, Zhang, C. | Deposit date: | 2015-01-26 | Release date: | 2015-10-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | RAF inhibitors that evade paradoxical MAPK pathway activation. Nature, 526, 2015
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4XV9
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![BU of 4xv9 by Molmil](/molmil-images/mine/4xv9) | B-Raf Kinase domain in complex with PLX5568 | Descriptor: | N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide, SULFATE ION, Serine/threonine-protein kinase B-raf | Authors: | zhang, Y, zhang, c, wang, w. | Deposit date: | 2015-01-26 | Release date: | 2015-10-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | RAF inhibitors that evade paradoxical MAPK pathway activation. Nature, 526, 2015
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4XV1
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![BU of 4xv1 by Molmil](/molmil-images/mine/4xv1) | B-Raf Kinase V600E oncogenic mutant in complex with PLX7904 | Descriptor: | N'-(3-{[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-N-ethyl-N-methylsulfuric diamide, Serine/threonine-protein kinase B-raf | Authors: | Zhang, Y, Zhang, C. | Deposit date: | 2015-01-26 | Release date: | 2015-10-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | RAF inhibitors that evade paradoxical MAPK pathway activation. Nature, 526, 2015
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4XV2
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2VI5
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![BU of 2vi5 by Molmil](/molmil-images/mine/2vi5) | LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO N-6-(ribitylamino)pyrimidine-2,4(1H,3H)-dione-5-yl-propionamide | Descriptor: | 1-deoxy-1-{[(5S)-2,6-dioxo-5-(propanoylamino)-1,2,5,6-tetrahydropyrimidin-4-yl]amino}-D-ribitol, 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE, PHOSPHATE ION, ... | Authors: | Morgunova, E, Zhang, Y, Jin, G, Illarionov, B, Bacher, A, Fischer, M, Cushman, M, Ladenstein, R. | Deposit date: | 2007-11-27 | Release date: | 2008-04-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A New Series of N-[2,4-Dioxo-6-D-Ribitylamino-1,2, 3,4-Tetrahydropyrimidin-5-Yl]Oxalamic Acid Derivatives as Inhibitors of Lumazine Syntase and Riboflavin Synthase: Design, Synthesis, Biochemical Evaluation, Crystallography and Mechanistic Implications. J.Org.Chem., 73, 2008
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3OG7
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![BU of 3og7 by Molmil](/molmil-images/mine/3og7) | B-Raf Kinase V600E oncogenic mutant in complex with PLX4032 | Descriptor: | AKAP9-BRAF fusion protein, N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide | Authors: | Zhang, Y, Zhang, K.Y, Zhang, C. | Deposit date: | 2010-08-16 | Release date: | 2010-09-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Clinical efficacy of a RAF inhibitor needs broad target blockade in BRAF-mutant melanoma. Nature, 467, 2010
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4XVC
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4R7H
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![BU of 4r7h by Molmil](/molmil-images/mine/4r7h) | Crystal structure of FMS KINASE domain with a small molecular inhibitor, PLX3397 | Descriptor: | 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine, Macrophage colony-stimulating factor 1 receptor | Authors: | Zhang, Y, Zhang, K, Zhang, C. | Deposit date: | 2014-08-27 | Release date: | 2015-08-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8001 Å) | Cite: | Structure-Guided Blockade of CSF1R Kinase in Tenosynovial Giant-Cell Tumor. N Engl J Med, 373, 2015
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4R7I
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4RT7
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![BU of 4rt7 by Molmil](/molmil-images/mine/4rt7) | Crystal Structure of FLT3 with a small molecule inhibitor | Descriptor: | 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea, Receptor-type tyrosine-protein kinase FLT3 | Authors: | Zhang, Y, Zhang, C. | Deposit date: | 2014-11-13 | Release date: | 2015-04-22 | Last modified: | 2015-06-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Characterizing and Overriding the Structural Mechanism of the Quizartinib-Resistant FLT3 "Gatekeeper" F691L Mutation with PLX3397. Cancer Discov, 5, 2015
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6O5W
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![BU of 6o5w by Molmil](/molmil-images/mine/6o5w) | Crystal structure of MORC3 CW domain fused with viral influenza A NS1 peptide | Descriptor: | NS1-linked peptide,MORC family CW-type zinc finger protein 3, ZINC ION | Authors: | Ahn, J, Zhang, Y, Vann, K.R, Kutateleadze, T. | Deposit date: | 2019-03-04 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.412 Å) | Cite: | MORC3 Is a Target of the Influenza A Viral Protein NS1. Structure, 27, 2019
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6P79
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![BU of 6p79 by Molmil](/molmil-images/mine/6p79) | Engineered single chain antibody C9+C14 ScFv | Descriptor: | Engineered antibody heavy chain, Engineered antibody light chain | Authors: | Zhang, Y, Li, W, Marshall, N. | Deposit date: | 2019-06-05 | Release date: | 2020-04-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.583 Å) | Cite: | Computer-based Engineering of Thermostabilized Antibody Fragments. Aiche J, 66, 2020
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1R0V
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1R11
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8ZMR
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![BU of 8zmr by Molmil](/molmil-images/mine/8zmr) | Vesamicol-bound VAChT | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Vesicular acetylcholine transporter,DARPinoff7, vesamicol | Authors: | Zhang, Z, Zhang, Y, Dai, F, Zhang, Y.X, Lee, C.-H. | Deposit date: | 2024-05-23 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural insights into VAChT neurotransmitter recognition and inhibition. Cell Res., 2024
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8ZMS
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![BU of 8zms by Molmil](/molmil-images/mine/8zms) | Acetylcholine-bound VAChT | Descriptor: | ACETYLCHOLINE, Maltose/maltodextrin-binding periplasmic protein,Vesicular acetylcholine transporter,DARPinoff7 | Authors: | Zhang, Z, Zhang, Y, Dai, F, Zhang, Y.X, Lee, C.-H. | Deposit date: | 2024-05-23 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural insights into VAChT neurotransmitter recognition and inhibition. Cell Res., 2024
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5E17
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4HW7
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4HVS
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4LA2
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![BU of 4la2 by Molmil](/molmil-images/mine/4la2) | Crystal structure of dimethylsulphoniopropionate (DMSP) lyase DddQ | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Dimethylsulphoniopropionate (DMSP) lyase DddQ, ZINC ION | Authors: | Zhang, Y, Li, C. | Deposit date: | 2013-06-19 | Release date: | 2014-01-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular insight into bacterial cleavage of oceanic dimethylsulfoniopropionate into dimethyl sulfide Proc.Natl.Acad.Sci.USA, 111, 2014
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5COI
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![BU of 5coi by Molmil](/molmil-images/mine/5coi) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | Descriptor: | 1-({[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}methyl)cyclopentanecarboxylic acid, Bromodomain-containing protein 4 | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | Deposit date: | 2015-07-20 | Release date: | 2016-01-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CPE
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![BU of 5cpe by Molmil](/molmil-images/mine/5cpe) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-cycloheptyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | Deposit date: | 2015-07-21 | Release date: | 2016-01-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CP5
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![BU of 5cp5 by Molmil](/molmil-images/mine/5cp5) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | Descriptor: | 1,2-ETHANEDIOL, 1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide, Bromodomain-containing protein 4, ... | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | Deposit date: | 2015-07-21 | Release date: | 2016-01-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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