4TKL
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![BU of 4tkl by Molmil](/molmil-images/mine/4tkl) | Crystal structure of NADH-dependent reductase A1-R' responsible for alginate metabolism | Descriptor: | NADH-dependent reductase for 4-deoxy-L-erythro-5-hexoseulose uronate, PHOSPHATE ION | Authors: | Takase, R, Mikami, B, Kawai, S, Murata, K, Hashimoto, W. | Deposit date: | 2014-05-27 | Release date: | 2014-06-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based Conversion of the Coenzyme Requirement of a Short-chain Dehydrogenase/Reductase Involved in Bacterial Alginate Metabolism. J.Biol.Chem., 289, 2014
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6U5Z
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4TLL
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![BU of 4tll by Molmil](/molmil-images/mine/4tll) | Crystal structure of GluN1/GluN2B NMDA receptor, structure 1 | Descriptor: | 1-AMINOCYCLOPROPANECARBOXYLIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol, ... | Authors: | Gouaux, E, Lee, C.-H, Lu, W. | Deposit date: | 2014-05-30 | Release date: | 2014-07-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.59 Å) | Cite: | NMDA receptor structures reveal subunit arrangement and pore architecture. Nature, 511, 2014
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4TNZ
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![BU of 4tnz by Molmil](/molmil-images/mine/4tnz) | Structure basis of cellular dNTP regulation, SAMHD1-GTP-dATP-dTTP complex | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y. | Deposit date: | 2014-06-05 | Release date: | 2014-10-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structural basis of cellular dNTP regulation by SAMHD1. Proc.Natl.Acad.Sci.USA, 111, 2014
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6GQM
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![BU of 6gqm by Molmil](/molmil-images/mine/6gqm) | Crystal structure of human c-KIT kinase domain in complex with a small molecule inhibitor, AZD3229 | Descriptor: | CHLORIDE ION, Mast/stem cell growth factor receptor Kit, ~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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4RSC
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![BU of 4rsc by Molmil](/molmil-images/mine/4rsc) | Crystal structure of RPE65 in complex with emixustat and palmitate | Descriptor: | (1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol, FE (II) ION, PALMITIC ACID, ... | Authors: | Kiser, P.D, Shi, W, Palczewski, K. | Deposit date: | 2014-11-07 | Release date: | 2015-04-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Catalytic mechanism of a retinoid isomerase essential for vertebrate vision. Nat.Chem.Biol., 11, 2015
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6UJE
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![BU of 6uje by Molmil](/molmil-images/mine/6uje) | Crystal structure of the Clostridial cellulose synthase subunit Z (CcsZ) from Clostridioides difficile | Descriptor: | CALCIUM ION, Endoglucanase | Authors: | Scott, W, Lowrance, B, Anderson, A.C, Weadge, J.T. | Deposit date: | 2019-10-03 | Release date: | 2020-10-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Identification of the Clostridial cellulose synthase and characterization of the cognate glycosyl hydrolase, CcsZ. Plos One, 15, 2020
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4TTC
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6GXH
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![BU of 6gxh by Molmil](/molmil-images/mine/6gxh) | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: FAcD 0MS after reaction initiation | Descriptor: | Fluoroacetate dehalogenase | Authors: | Schulz, E.C, Mehrabi, P, Mueller-Werkmeister, H, Tellkamp, F, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E.F, Miller, R.J.D. | Deposit date: | 2018-06-27 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography. Nat. Methods, 15, 2018
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5DLM
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![BU of 5dlm by Molmil](/molmil-images/mine/5dlm) | Complex of Influenza M2e and Antibody | Descriptor: | Heavy chain of monoclonal antibody, Light chain of monoclonal antibody, Matrix protein 2, ... | Authors: | Cho, K.J, Schepens, B, Moonens, K, Deng, L, Fiers, W, Remaut, H, Saelens, X. | Deposit date: | 2015-09-07 | Release date: | 2015-10-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of the Conserved Amino Terminus of the Extracellular Domain of Matrix Protein 2 of Influenza A Virus Gripped by an Antibody. J.Virol., 90, 2015
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4TKM
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![BU of 4tkm by Molmil](/molmil-images/mine/4tkm) | Crystal structure of NADH-dependent reductase A1-R' complexed with NAD | Descriptor: | NADH-dependent reductase for 4-deoxy-L-erythro-5-hexoseulose uronate, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | Authors: | Takase, R, Mikami, B, Kawai, S, Murata, K, Hashimoto, W. | Deposit date: | 2014-05-27 | Release date: | 2014-06-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Structure-based Conversion of the Coenzyme Requirement of a Short-chain Dehydrogenase/Reductase Involved in Bacterial Alginate Metabolism. J.Biol.Chem., 289, 2014
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6GZM
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![BU of 6gzm by Molmil](/molmil-images/mine/6gzm) | Crystal Structure of Human CKIdelta with A86 | Descriptor: | CITRIC ACID, Casein kinase I isoform delta, GLYCEROL, ... | Authors: | Ben-neriah, Y, Venkatachalam, A, Minzel, W, Fink, A, Snir-Alkalay, I, Vacca, J. | Deposit date: | 2018-07-04 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Small Molecules Co-targeting CKI alpha and the Transcriptional Kinases CDK7/9 Control AML in Preclinical Models. Cell, 175, 2018
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4TNR
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![BU of 4tnr by Molmil](/molmil-images/mine/4tnr) | Structure basis of cellular dNTP regulation, SAMHD1-GTP-dATP-dATP complex | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y. | Deposit date: | 2014-06-04 | Release date: | 2014-10-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis of cellular dNTP regulation by SAMHD1. Proc.Natl.Acad.Sci.USA, 111, 2014
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4TO4
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![BU of 4to4 by Molmil](/molmil-images/mine/4to4) | Structure basis of cellular dNTP regulation, SAMHD1-GTP-dGTP-dCTP complex | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y. | Deposit date: | 2014-06-05 | Release date: | 2014-10-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of cellular dNTP regulation by SAMHD1. Proc.Natl.Acad.Sci.USA, 111, 2014
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6SNC
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![BU of 6snc by Molmil](/molmil-images/mine/6snc) | crystal structure of LN01 Fab in complex with an HIV-1 gp41 peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, LNO1 Heavy Chain, ... | Authors: | Caillat, C, Pinto, D, Corti, D, Fenwick, C, Pantaleo, G, Weissenhorn, W. | Deposit date: | 2019-08-23 | Release date: | 2019-11-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural Basis for Broad HIV-1 Neutralization by the MPER-Specific Human Broadly Neutralizing Antibody LN01. Cell Host Microbe, 26, 2019
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4TS0
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![BU of 4ts0 by Molmil](/molmil-images/mine/4ts0) | Crystal structure of the Spinach RNA aptamer in complex with DFHBI, barium ions | Descriptor: | (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, BARIUM ION, POTASSIUM ION, ... | Authors: | Warner, K.D, Chen, M.C, Song, W, Strack, R.L, Thorn, A, Jaffrey, S.R, Ferre-D'Amare, A.R. | Deposit date: | 2014-06-18 | Release date: | 2014-07-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for activity of highly efficient RNA mimics of green fluorescent protein. Nat.Struct.Mol.Biol., 21, 2014
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4RLZ
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![BU of 4rlz by Molmil](/molmil-images/mine/4rlz) | Crystal structure of Norovirus OIF P domain | Descriptor: | Capsid protein, GLYCEROL | Authors: | Liu, W, Chen, Y, Tan, M, Xia, M, Li, X, Jiang, X, Rao, Z. | Deposit date: | 2014-10-18 | Release date: | 2015-06-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | A Unique Human Norovirus Lineage with a Distinct HBGA Binding Interface. Plos Pathog., 11, 2015
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6SKT
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4RMJ
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![BU of 4rmj by Molmil](/molmil-images/mine/4rmj) | Human Sirt2 in complex with ADP ribose and nicotinamide | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | Deposit date: | 2014-10-21 | Release date: | 2015-02-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nat Commun, 6, 2015
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5E6N
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![BU of 5e6n by Molmil](/molmil-images/mine/5e6n) | Crystal structure of C. elegans LGG-2 | Descriptor: | Protein lgg-2 | Authors: | Qi, X, Ren, J.Q, Wu, F, Zhang, H, Feng, W. | Deposit date: | 2015-10-10 | Release date: | 2016-01-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Structural Basis of the Differential Function of the Two C. elegans Atg8 Homologs, LGG-1 and LGG-2, in Autophagy Mol.Cell, 60, 2015
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6GQL
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![BU of 6gql by Molmil](/molmil-images/mine/6gql) | Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 35) | Descriptor: | Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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6GQP
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![BU of 6gqp by Molmil](/molmil-images/mine/6gqp) | Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 23) | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide | Authors: | Hardy, C.J, Schimpl, M, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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4RSY
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![BU of 4rsy by Molmil](/molmil-images/mine/4rsy) | Crystal structures of the Human leukotriene A4 Hydrolase complex with a potential inhibitor H7 | Descriptor: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, ACETIC ACID, IMIDAZOLE, ... | Authors: | Ouyang, P, Lu, W, Cui, K, Huang, J. | Deposit date: | 2014-11-12 | Release date: | 2015-12-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structure of Human Leukotriene A4 Hydrolase in complex with inhibitor H1 To be Published
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4RMH
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![BU of 4rmh by Molmil](/molmil-images/mine/4rmh) | Human Sirt2 in complex with SirReal2 and Ac-Lys-H3 peptide | Descriptor: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, Ac-Lys-H3 peptide, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | Deposit date: | 2014-10-21 | Release date: | 2015-02-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nat Commun, 6, 2015
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5E1J
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![BU of 5e1j by Molmil](/molmil-images/mine/5e1j) | Structure of voltage-gated two-pore channel TPC1 from Arabidopsis thaliana | Descriptor: | BARIUM ION, CALCIUM ION, Two pore calcium channel protein 1 | Authors: | Guo, J, Zeng, W, Chen, Q, Lee, C, Chen, L, Yang, Y, Jiang, Y. | Deposit date: | 2015-09-29 | Release date: | 2015-12-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.308 Å) | Cite: | Structure of the voltage-gated two-pore channel TPC1 from Arabidopsis thaliana. Nature, 531, 2016
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