8XVT
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![BU of 8xvt by Molmil](/molmil-images/mine/8xvt) | The core subcomplex of human NuA4/TIP60 complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | Authors: | Chen, K, Wang, L, Yu, Z, Yu, J, Ren, Y, Wang, Q, Xu, Y. | Deposit date: | 2024-01-15 | Release date: | 2024-07-24 | Last modified: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of the human TIP60 complex To Be Published
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9LDB
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![BU of 9ldb by Molmil](/molmil-images/mine/9ldb) | DESIGN AND SYNTHESIS OF NEW ENZYMES BASED ON THE LACTATE DEHYDROGENASE FRAMEWORK | Descriptor: | LACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXAMIC ACID, ... | Authors: | Dunn, C.R, Holbrook, J.J, Muirhead, H. | Deposit date: | 1991-11-26 | Release date: | 1993-10-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design and synthesis of new enzymes based on the lactate dehydrogenase framework. Philos.Trans.R.Soc.London,Ser.B, 332, 1991
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9BK3
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![BU of 9bk3 by Molmil](/molmil-images/mine/9bk3) | Crystal structure of Lactate dehydrogenase in complex with 4-((4-(1-methyl-1H-imidazole-2-carbonyl)phenyl)amino)-4-oxo-2-(4-(trifluoromethyl)phenyl)butanoic acid (R-enantiomer, orthorhombic P form) | Descriptor: | (2R)-4-[4-(1-methyl-1H-imidazole-2-carbonyl)anilino]-4-oxo-2-[4-(trifluoromethyl)phenyl]butanoic acid, CHLORIDE ION, L-lactate dehydrogenase A chain, ... | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Sharma, H. | Deposit date: | 2024-04-26 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Synthesis and biological characterization of an orally bioavailable lactate dehydrogenase-A inhibitor against pancreatic cancer. Eur.J.Med.Chem., 275, 2024
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8XPU
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![BU of 8xpu by Molmil](/molmil-images/mine/8xpu) | Overall structure of the LAT1-4F2hc bound with JPH203 | Descriptor: | (2~{S})-2-azanyl-3-[4-[(5-azanyl-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-bis(chloranyl)phenyl]propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 5 of Amino acid transporter heavy chain SLC3A2, ... | Authors: | Hu, Z, Yan, R. | Deposit date: | 2024-01-04 | Release date: | 2024-07-17 | Last modified: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for the inhibition mechanism of LAT1-4F2hc complex by JPH203. Cell Discov, 10, 2024
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6X7C
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![BU of 6x7c by Molmil](/molmil-images/mine/6x7c) | BRD4 Bromodomain 1 in complex with multi-action inhibitor SRX3212 | Descriptor: | 7-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide, Bromodomain-containing protein 4 | Authors: | Vann, K.R, Kutateladze, T.G. | Deposit date: | 2020-05-29 | Release date: | 2020-08-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design of thienopyranone-based BET inhibitors that bind multiple synthetic lethality targets. Sci Rep, 10, 2020
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5LJ2
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![BU of 5lj2 by Molmil](/molmil-images/mine/5lj2) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-(5-aminopyridin-3-yl)-8-(((3R,4R)-3-((1,1-dioxidotetrahydro-2H-thiopyran-4-yl)methoxy)piperidin-4-yl)amino)-3-methyl-1,7-naphthyridin-2(1H)-one | Descriptor: | 1,2-ETHANEDIOL, 5-(5-aminopyridin-3-yl)-8-(((3R,4R)-3-((1,1-dioxidotetrahydro-2H-thiopyran-4-yl)methoxy)piperidin-4-yl)amino)-3-methyl-1,7-naphthyridin-2(1H)-one, Bromodomain-containing protein 4 | Authors: | Chung, C, Bamborough, P, Demont, E. | Deposit date: | 2016-07-17 | Release date: | 2016-08-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | A Chemical Probe for the ATAD2 Bromodomain. Angew.Chem.Int.Ed.Engl., 55, 2016
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9FQ0
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![BU of 9fq0 by Molmil](/molmil-images/mine/9fq0) | Human NatA-NAC-MAP1 80S ribosome complex | Descriptor: | 28S rRNA, 5.8S rRNA, 60S ribosomal protein L19, ... | Authors: | Klein, M.A, Wild, K, Sinning, I. | Deposit date: | 2024-06-14 | Release date: | 2024-07-03 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (4.67 Å) | Cite: | Multi-protein assemblies orchestrate enzymatic processing of the nascent chain on the 80S ribosome To Be Published
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8XB0
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![BU of 8xb0 by Molmil](/molmil-images/mine/8xb0) | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 292 | Descriptor: | 1,2-ETHANEDIOL, 7-chloranyl-5-(2-cyclopropylpyridin-3-yl)-8-fluoranyl-2-methyl-pyrazolo[3,4-c]quinolin-4-one, CHLORIDE ION, ... | Authors: | Tong, S.L, Zhang, G.P. | Deposit date: | 2023-12-05 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with High Selectivity, Brain Penetration, and In Vivo Efficacy. J.Med.Chem., 67, 2024
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6XJT
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![BU of 6xjt by Molmil](/molmil-images/mine/6xjt) | Crystal Structure of KPT-8602 bound to CRM1 (537-DLTVK-541 to GLCEQ) | Descriptor: | (2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide, Exportin-1, GTP-binding nuclear protein Ran, ... | Authors: | Baumhardt, J.M, Chook, Y.M. | Deposit date: | 2020-06-24 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.406 Å) | Cite: | Recurrent XPO1 mutations alter pathogenesis of chronic lymphocytic leukemia. J Hematol Oncol, 14, 2021
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4KMD
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![BU of 4kmd by Molmil](/molmil-images/mine/4kmd) | Crystal structure of Sufud60-Gli1p | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, Sufu, ... | Authors: | Zhang, Y, Qi, X, Zhang, Z, Wu, G. | Deposit date: | 2013-05-08 | Release date: | 2013-11-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci. Nat Commun, 4, 2013
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8XVV
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![BU of 8xvv by Molmil](/molmil-images/mine/8xvv) | The TRRAP module of human NuA4/TIP60 complex | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Isoform 2 of E1A-binding protein p400, Isoform 2 of Transformation/transcription domain-associated protein | Authors: | Chen, K, Wang, L, Yu, Z, Yu, J, Ren, Y, Wang, Q, Xu, Y. | Deposit date: | 2024-01-15 | Release date: | 2024-07-24 | Last modified: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of the human TIP60 complex To Be Published
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9FWG
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![BU of 9fwg by Molmil](/molmil-images/mine/9fwg) | LSD1/CoREST bound to bomedemstat | Descriptor: | Bomedemstat FAD adduct, Lysine-specific histone demethylase 1A, REST corepressor 1 | Authors: | Speranzini, V, Mattevi, A. | Deposit date: | 2024-06-30 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Characterization of structural, biochemical, pharmacokinetic, and pharmacodynamic properties of the LSD1 inhibitor bomedemstat in preclinical models. Prostate, 84, 2024
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9EP1
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![BU of 9ep1 by Molmil](/molmil-images/mine/9ep1) | |
5LHI
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![BU of 5lhi by Molmil](/molmil-images/mine/5lhi) | Structure of the KDM1A/CoREST complex with the inhibitor N-[3-(ethoxymethyl)-2-[[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | Authors: | Cecatiello, V, Pasqualato, S. | Deposit date: | 2016-07-12 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship. J. Med. Chem., 60, 2017
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9FA7
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![BU of 9fa7 by Molmil](/molmil-images/mine/9fa7) | |
9FA4
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![BU of 9fa4 by Molmil](/molmil-images/mine/9fa4) | |
9BFY
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![BU of 9bfy by Molmil](/molmil-images/mine/9bfy) | Tri-complex of Compound-12, KRAS G12C, and CypA | Descriptor: | (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name), CHLORIDE ION, GTPase KRas, ... | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | Deposit date: | 2024-04-18 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Tri-complex of Compound-12, KRAS G12C, and CypA To be published
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9FWX
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![BU of 9fwx by Molmil](/molmil-images/mine/9fwx) | Crystal structure of BRD4 BD1 with MEN1404BS. | Descriptor: | 3-methyl-~{N}-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine, Bromodomain-containing protein 4 | Authors: | Bader, G, Kessler, D. | Deposit date: | 2024-07-01 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Probing Protein-Ligand Methyl-pi Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups. J.Med.Chem., 2024
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8XVG
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![BU of 8xvg by Molmil](/molmil-images/mine/8xvg) | Structure of human NuA4/TIP60 complex | Descriptor: | ACTB protein (Fragment), ADENOSINE-5'-DIPHOSPHATE, Actin-like protein 6A, ... | Authors: | Chen, K, Wang, L, Yu, Z, Yu, J, Ren, Y, Wang, Q, Xu, Y. | Deposit date: | 2024-01-15 | Release date: | 2024-07-24 | Last modified: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (9.4 Å) | Cite: | Structure of the human TIP60 complex To Be Published
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4KPW
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![BU of 4kpw by Molmil](/molmil-images/mine/4kpw) | |
9BK2
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![BU of 9bk2 by Molmil](/molmil-images/mine/9bk2) | Crystal structure of Lactate dehydrogenase in complex with 4-((4-(1-methyl-1H-imidazole-2-carbonyl)phenyl)amino)-4-oxo-2-(4-(trifluoromethyl)phenyl)butanoic acid (S-enantiomer, monoclinic P form) | Descriptor: | (2S)-4-[4-(1-methyl-1H-imidazole-2-carbonyl)anilino]-4-oxo-2-[4-(trifluoromethyl)phenyl]butanoic acid, DIMETHYL SULFOXIDE, L-lactate dehydrogenase A chain, ... | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Sharma, H, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2024-04-26 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Synthesis and biological characterization of an orally bioavailable lactate dehydrogenase-A inhibitor against pancreatic cancer. Eur.J.Med.Chem., 275, 2024
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6XJP
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![BU of 6xjp by Molmil](/molmil-images/mine/6xjp) | |
6XKA
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![BU of 6xka by Molmil](/molmil-images/mine/6xka) | |
9EOC
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![BU of 9eoc by Molmil](/molmil-images/mine/9eoc) | |
8XAR
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![BU of 8xar by Molmil](/molmil-images/mine/8xar) | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 54 | Descriptor: | 1,2-ETHANEDIOL, 7-chloranyl-2-ethyl-5-pyridin-3-yl-pyrazolo[3,4-c]quinolin-4-one, CHLORIDE ION, ... | Authors: | Zheng, J.Y, Zhang, G.P, Li, J.J, Tong, S.L. | Deposit date: | 2023-12-05 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with High Selectivity, Brain Penetration, and In Vivo Efficacy. J.Med.Chem., 67, 2024
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