5WPR
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![BU of 5wpr by Molmil](/molmil-images/mine/5wpr) | Crystal structure HpiC1 in C2 space group | Descriptor: | 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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5WPP
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![BU of 5wpp by Molmil](/molmil-images/mine/5wpp) | Crystal structure HpiC1 W73M/K132M | Descriptor: | 12-epi-hapalindole C/U synthase, CALCIUM ION, TETRAETHYLENE GLYCOL, ... | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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5XED
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![BU of 5xed by Molmil](/molmil-images/mine/5xed) | Heterodimer constructed from M61A PA cyt c551-HT cyt c552 and HT cyt c552-PA cyt c551 chimeric proteins | Descriptor: | Cytochrome c-551,Cytochrome c-552, Cytochrome c-552,Cytochrome c-551, HEME C | Authors: | Zhang, M, Nakanishi, T, Yamanaka, M, Nagao, S, Yanagisawa, S, Shomura, Y, Shibata, N, Ogura, T, Higuchi, Y, Hirota, S. | Deposit date: | 2017-04-04 | Release date: | 2017-08-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Rational Design of Domain-Swapping-Based c-Type Cytochrome Heterodimers by Using Chimeric Proteins. Chembiochem, 18, 2017
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6AL7
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![BU of 6al7 by Molmil](/molmil-images/mine/6al7) | Crystal structure HpiC1 F138S | Descriptor: | 12-epi-hapalindole C/U synthase, CALCIUM ION | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.687 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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4P8E
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![BU of 4p8e by Molmil](/molmil-images/mine/4p8e) | Structure of ribB complexed with substrate (Ru5P) and metal ions | Descriptor: | 1,2-ETHANEDIOL, 3,4-dihydroxy-2-butanone 4-phosphate synthase, RIBULOSE-5-PHOSPHATE, ... | Authors: | Islam, Z, Kumar, A, Singh, S, Salmon, L, Karthikeyan, S. | Deposit date: | 2014-03-31 | Release date: | 2015-03-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural Basis for Competitive Inhibition of 3,4-Dihydroxy-2-butanone-4-phosphate Synthase from Vibrio cholerae. J.Biol.Chem., 290, 2015
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4P6C
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![BU of 4p6c by Molmil](/molmil-images/mine/4p6c) | Structure of ribB complexed with inhibitor 4PEH | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, 4-PHOSPHO-D-ERYTHRONOHYDROXAMIC ACID | Authors: | Islam, Z, Kumar, A, Singh, S, Salmon, L, Karthikeyan, S. | Deposit date: | 2014-03-24 | Release date: | 2015-03-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural Basis for Competitive Inhibition of 3,4-Dihydroxy-2-butanone-4-phosphate Synthase from Vibrio cholerae. J.Biol.Chem., 290, 2015
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5YDD
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![BU of 5ydd by Molmil](/molmil-images/mine/5ydd) | Crystal structure of C-terminal domain of Rv1828 from Mycobacterium tuberculosis | Descriptor: | (6R,8S,9S)-8-(hydroxymethyl)-6,11,11-tris(oxidanyl)-9-propyl-dodecanoic acid, GLYCEROL, SODIUM ION, ... | Authors: | Singh, S, Karthiekeyan, S. | Deposit date: | 2017-09-12 | Release date: | 2018-09-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Characteristics of the essential pathogenicity factor Rv1828, a MerR family transcription regulator from Mycobacterium tuberculosis. FEBS J., 285, 2018
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7XMK
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![BU of 7xmk by Molmil](/molmil-images/mine/7xmk) | Crystal structure of human RIPK1 kinase domain in complex with compound SKLB923 | Descriptor: | 5-[2-(cyclopropylcarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methyl-indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Zhang, L, Wang, Y, Li, Y, Yang, S. | Deposit date: | 2022-04-26 | Release date: | 2023-04-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.376 Å) | Cite: | From Hit to Lead: Structure-Based Optimization of Novel Selective Inhibitors of Receptor-Interacting Protein Kinase 1 (RIPK1) for the Treatment of Inflammatory Diseases. J.Med.Chem., 67, 2024
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2KSG
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![BU of 2ksg by Molmil](/molmil-images/mine/2ksg) | |
4N3W
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![BU of 4n3w by Molmil](/molmil-images/mine/4n3w) | |
7DVO
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![BU of 7dvo by Molmil](/molmil-images/mine/7dvo) | Structure of Reaction Intermediate of Cytochrome P450 NO Reductase (P450nor) Determined by XFEL | Descriptor: | GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ... | Authors: | Nomura, T, Kimura, T, Kanematsu, Y, Yamashita, K, Hirata, K, Ueno, G, Murakami, H, Hisano, T, Yamagiwa, R, Takeda, H, Gopalasingam, C, Yuki, K, Kousaka, R, Yanagasawa, S, Shoji, O, Kumasaka, T, Takano, Y, Ago, H, Yamamoto, M, Sugimoto, H, Tosha, T, Kubo, M, Shiro, Y. | Deposit date: | 2021-01-14 | Release date: | 2021-05-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Short-lived intermediate in N 2 O generation by P450 NO reductase captured by time-resolved IR spectroscopy and XFEL crystallography. Proc.Natl.Acad.Sci.USA, 118, 2021
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5XJE
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![BU of 5xje by Molmil](/molmil-images/mine/5xje) | Crystal structure of fucosylated IgG1 Fc complexed with bis-glycosylated soluble form of Fc gamma receptor IIIa | Descriptor: | CHLORIDE ION, Immunoglobulin gamma-1 heavy chain, Low affinity immunoglobulin gamma Fc region receptor III-A, ... | Authors: | Sakae, Y, Satoh, T, Yagi, H, Yanaka, S, Yamaguchi, T, Isoda, Y, Iida, S, Okamoto, Y, Kato, K. | Deposit date: | 2017-05-01 | Release date: | 2017-11-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Conformational effects of N-glycan core fucosylation of immunoglobulin G Fc region on its interaction with Fc gamma receptor IIIa. Sci Rep, 7, 2017
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2M35
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![BU of 2m35 by Molmil](/molmil-images/mine/2m35) | NMR study of k-Ssm1a | Descriptor: | k-Ssm1a | Authors: | King, G.F, Undheim, E.A, Mobli, M, Yang, S, Rong, M, Lai, R. | Deposit date: | 2013-01-09 | Release date: | 2014-01-15 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | NMR study of k-Ssm1a To be Published
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6JC3
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![BU of 6jc3 by Molmil](/molmil-images/mine/6jc3) | The Cryo-EM structure of nucleoprotein-RNA complex of Newcastle disease virus | Descriptor: | Nucleocapsid, polyU | Authors: | Song, X, Shan, H, Zhu, Y, Ding, W, Ouyang, S, Shen, Q.T, Liu, Z.J. | Deposit date: | 2019-01-28 | Release date: | 2019-08-07 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Self-capping of nucleoprotein filaments protects the Newcastle disease virus genome. Elife, 8, 2019
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5YDC
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![BU of 5ydc by Molmil](/molmil-images/mine/5ydc) | |
2MVA
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7CD9
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![BU of 7cd9 by Molmil](/molmil-images/mine/7cd9) | Crystal Structure of SETDB1 tudor domain in complexed with Compound 6 | Descriptor: | 3-methyl-2-[[(3R,5R)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one, CITRIC ACID, Histone-lysine N-methyltransferase SETDB1 | Authors: | Xiong, L, Guo, Y, Mao, X, Huang, L, Wu, C, Yang, S. | Deposit date: | 2020-06-19 | Release date: | 2021-04-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain. Angew.Chem.Int.Ed.Engl., 60, 2021
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7C9N
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![BU of 7c9n by Molmil](/molmil-images/mine/7c9n) | Crystal structure of SETDB1 tudor domain in complexed with Compound 1. | Descriptor: | 3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one, Histone-lysine N-methyltransferase SETDB1 | Authors: | Guo, Y, Xiong, L, Mao, X, Yang, S. | Deposit date: | 2020-06-06 | Release date: | 2021-04-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.472 Å) | Cite: | Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain. Angew.Chem.Int.Ed.Engl., 60, 2021
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7CJT
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![BU of 7cjt by Molmil](/molmil-images/mine/7cjt) | Crystal Structure of SETDB1 Tudor domain in complexed with (R,R)-59 | Descriptor: | 2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one, Histone-lysine N-methyltransferase SETDB1 | Authors: | Guo, Y.P, Liang, X, Mao, X, Wu, C, Luyi, H, Yang, S. | Deposit date: | 2020-07-13 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.474 Å) | Cite: | Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain. Angew.Chem.Int.Ed.Engl., 60, 2021
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5XJF
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![BU of 5xjf by Molmil](/molmil-images/mine/5xjf) | Crystal structure of fucosylated IgG Fc Y296W mutant complexed with bis-glycosylated soluble form of Fc gamma receptor IIIa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Sakae, Y, Satoh, T, Yagi, H, Yanaka, S, Yamaguchi, T, Isoda, Y, Iida, S, Okamoto, Y, Kato, K. | Deposit date: | 2017-05-01 | Release date: | 2017-11-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Conformational effects of N-glycan core fucosylation of immunoglobulin G Fc region on its interaction with Fc gamma receptor IIIa. Sci Rep, 7, 2017
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3CFW
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![BU of 3cfw by Molmil](/molmil-images/mine/3cfw) | L-selectin lectin and EGF domains | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, L-selectin, ... | Authors: | Mehta, P, Oganesyan, V, Terzyan, S, Mather, T, McEver, R.P. | Deposit date: | 2008-03-04 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Glycan Bound to the Selectin Low Affinity State Engages Glu-88 to Stabilize the High Affinity State under Force. J.Biol.Chem., 292, 2017
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7YDX
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![BU of 7ydx by Molmil](/molmil-images/mine/7ydx) | Crystal structure of human RIPK1 kinase domain in complex with compound RI-962 | Descriptor: | 1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Zhang, L, Wang, Y, Li, Y, Wu, C, Luo, X, Wang, T, Lei, J, Yang, S. | Deposit date: | 2022-07-04 | Release date: | 2023-04-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.642 Å) | Cite: | Generative deep learning enables the discovery of a potent and selective RIPK1 inhibitor. Nat Commun, 13, 2022
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6IMC
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![BU of 6imc by Molmil](/molmil-images/mine/6imc) | Crystal Structure of ALKBH1 in complex with Mn(II) and N-Oxalylglycine | Descriptor: | MANGANESE (II) ION, N-OXALYLGLYCINE, Nucleic acid dioxygenase ALKBH1 | Authors: | Zhang, M, Yang, S, Zhao, W, Li, H. | Deposit date: | 2018-10-22 | Release date: | 2020-01-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Mammalian ALKBH1 serves as an N6-mA demethylase of unpairing DNA. Cell Res., 30, 2020
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7CAP
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![BU of 7cap by Molmil](/molmil-images/mine/7cap) | Cyclic Lys48-linked triubiquitin | Descriptor: | Ubiquitin, ZINC ION | Authors: | Hiranyakorn, M, Yanaka, S, Satoh, T, Wilasri, T, Jityuti, B, Yagi-Utsumi, T, Kato, K. | Deposit date: | 2020-06-09 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | NMR Characterization of Conformational Interconversions of Lys48-Linked Ubiquitin Chains. Int J Mol Sci, 21, 2020
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5H1Y
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![BU of 5h1y by Molmil](/molmil-images/mine/5h1y) | |