5YMR
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![BU of 5ymr by Molmil](/molmil-images/mine/5ymr) | The Crystal Structure of IseG | 分子名称: | 2-hydroxyethylsulfonic acid, Formate acetyltransferase, GLYCEROL | 著者 | Lin, L, Zhang, J, Xing, M, Hua, G, Guo, C, Hu, Y, Wei, Y, Ang, E, Zhao, H, Zhang, Y, Yuchi, Z. | 登録日 | 2017-10-22 | 公開日 | 2019-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Radical-mediated C-S bond cleavage in C2 sulfonate degradation by anaerobic bacteria. Nat Commun, 10, 2019
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5YTF
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![BU of 5ytf by Molmil](/molmil-images/mine/5ytf) | Structure of large fragment of DNA Polymerase I from Thermus aquaticus Host-Guest complex with the unnatural base M-fC pair with dA | 分子名称: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*CP*GP*GP*CP*GP*CP*CP*GP*(92F)P*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... | 著者 | Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q. | 登録日 | 2017-11-17 | 公開日 | 2018-11-21 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry. Angew. Chem. Int. Ed. Engl., 58, 2019
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4NRT
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![BU of 4nrt by Molmil](/molmil-images/mine/4nrt) | Human Norovirus polymerase bound to Compound 6 (suramin derivative) | 分子名称: | 4-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,5-disulfonic acid, hNV-RdRp | 著者 | Croci, R, Pezzullo, M, Tarantino, D, Mastrangelo, E, Milani, M, Bolognesi, M. | 登録日 | 2013-11-27 | 公開日 | 2014-10-15 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.022 Å) | 主引用文献 | Structural bases of norovirus RNA dependent RNA polymerase inhibition by novel suramin-related compounds. Plos One, 9, 2014
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6QJ1
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5YPR
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![BU of 5ypr by Molmil](/molmil-images/mine/5ypr) | Crystal Structure of PSD-95 SH3-GK domain in complex with a synthesized inhibitor | 分子名称: | Disks large homolog 4, Synthesized GK inhibitor | 著者 | Zhu, J, Zhou, Q, Shang, Y, Weng, Z, Zhu, R, Zhang, M. | 登録日 | 2017-11-02 | 公開日 | 2018-03-14 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.349 Å) | 主引用文献 | Synaptic Targeting and Function of SAPAPs Mediated by Phosphorylation-Dependent Binding to PSD-95 MAGUKs. Cell Rep, 21, 2017
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122D
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123D
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![BU of 123d by Molmil](/molmil-images/mine/123d) | |
4TXY
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![BU of 4txy by Molmil](/molmil-images/mine/4txy) | Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase, a prokaryotic cGAS homolog | 分子名称: | Cyclic AMP-GMP synthase, MAGNESIUM ION | 著者 | Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A. | 登録日 | 2014-07-07 | 公開日 | 2014-08-13 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3.0001 Å) | 主引用文献 | Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity. Cell, 158, 2014
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5YOK
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![BU of 5yok by Molmil](/molmil-images/mine/5yok) | Structure of HIV-1 Protease in Complex with Inhibitor KNI-1657 | 分子名称: | (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3 -yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, HIV-1 PROTEASE | 著者 | Adachi, M, Hidaka, K, Kuroki, R, Kiso, Y. | 登録日 | 2017-10-29 | 公開日 | 2018-07-18 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (0.85 Å) | 主引用文献 | Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine. J. Med. Chem., 61, 2018
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6ZGP
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![BU of 6zgp by Molmil](/molmil-images/mine/6zgp) | Crystal structure of the quaternary ammonium Rieske monooxygenase CntA in complex with inhibitor MMV12 (MMV020670) | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carnitine monooxygenase oxygenase subunit, FE (III) ION, ... | 著者 | Quareshy, M, Shanmugam, M, Bugg, T.D.H, Cameron, A, Chen, Y. | 登録日 | 2020-06-19 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Structural basis of carnitine monooxygenase CntA substrate specificity, inhibition, and intersubunit electron transfer. J.Biol.Chem., 296, 2020
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6YUO
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![BU of 6yuo by Molmil](/molmil-images/mine/6yuo) | Capsule O-acetyltransferase of Neisseria meningitidis serogroup A in complex with caged Gadolinium | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Cramer, J.T, Fiebig, T, Fedorov, R, Muehlenhoff, M. | 登録日 | 2020-04-27 | 公開日 | 2020-08-19 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural and mechanistic basis of capsule O-acetylation in Neisseria meningitidis serogroup A. Nat Commun, 11, 2020
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5V56
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![BU of 5v56 by Molmil](/molmil-images/mine/5v56) | 2.9A XFEL structure of the multi-domain human smoothened receptor (with E194M mutation) in complex with TC114 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN MONONUCLEOTIDE, N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide, ... | 著者 | Zhang, X, Zhao, F, Wu, Y, Yang, J, Han, G.W, Zhao, S, Ishchenko, A, Ye, L, Lin, X, Ding, K, Dharmarajan, V, Griffin, P.R, Gati, C, Nelson, G, Hunter, M.S, Hanson, M.A, Cherezov, V, Stevens, R.C, Tan, W, Tao, H, Xu, F. | 登録日 | 2017-03-13 | 公開日 | 2017-05-24 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Crystal structure of a multi-domain human smoothened receptor in complex with a super stabilizing ligand. Nat Commun, 8, 2017
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6QKQ
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6QKP
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5YTG
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![BU of 5ytg by Molmil](/molmil-images/mine/5ytg) | Structure of large fragment of DNA Polymerase I from Thermus aquaticus Host-Guest complex with the unnatural base I-fC pair with dA | 分子名称: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*CP*GP*GP*CP*GP*CP*CP*GP*(94O)P*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... | 著者 | Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q. | 登録日 | 2017-11-17 | 公開日 | 2018-11-21 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry. Angew. Chem. Int. Ed. Engl., 58, 2019
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5YTH
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![BU of 5yth by Molmil](/molmil-images/mine/5yth) | Structure of large fragment of DNA Polymerase I from Thermus aquaticus Host-Guest complex with the unnatural base M-fC pair with dG | 分子名称: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*CP*GP*GP*CP*GP*CP*CP*GP*(92F)P*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*GP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... | 著者 | Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q. | 登録日 | 2017-11-17 | 公開日 | 2018-11-21 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry. Angew. Chem. Int. Ed. Engl., 58, 2019
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8RUK
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![BU of 8ruk by Molmil](/molmil-images/mine/8ruk) | Structure of Oceanobacillus iheyensis group II intron in the presence of Na+, Mg2+, and ARN25850 | 分子名称: | 2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide, Domains 1-5, MAGNESIUM ION, ... | 著者 | Silvestri, I, Marcia, M. | 登録日 | 2024-01-31 | 公開日 | 2024-06-19 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (4.81 Å) | 主引用文献 | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators. Nat Commun, 15, 2024
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8RPB
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![BU of 8rpb by Molmil](/molmil-images/mine/8rpb) | Structure of S79 Fab in complex with IgV domain of human PD-L1 | 分子名称: | CHLORIDE ION, GLYCEROL, Programmed cell death 1 ligand 1, ... | 著者 | Svensson, A, Kelpsas, V, Laursen, M, Rose, N. | 登録日 | 2024-01-15 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.794 Å) | 主引用文献 | Structural analysis of light chain-driven bispecific antibodies targeting CD47 and PD-L1. Mabs, 16, 2024
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8RU8
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![BU of 8ru8 by Molmil](/molmil-images/mine/8ru8) | A crystal form of a human CDK2-CDK7 chimera | 分子名称: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, Cyclin-dependent kinase 2 | 著者 | Mukherjee, M, Cleasby, A. | 登録日 | 2024-01-30 | 公開日 | 2024-06-26 | 最終更新日 | 2024-08-21 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design. Structure, 32, 2024
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8RUJ
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![BU of 8ruj by Molmil](/molmil-images/mine/8ruj) | Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+, 5'-exon, and ARN25850 after 1h soaking | 分子名称: | 2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide, Domains 1-5, MAGNESIUM ION, ... | 著者 | Silvestri, I, Marcia, M. | 登録日 | 2024-01-30 | 公開日 | 2024-06-19 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (3.12 Å) | 主引用文献 | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators. Nat Commun, 15, 2024
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133L
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8RUI
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![BU of 8rui by Molmil](/molmil-images/mine/8rui) | Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+, 5'-exon, and intronistat B after 1h soaking | 分子名称: | Domains 1-5, MAGNESIUM ION, POTASSIUM ION, ... | 著者 | Silvestri, I, Marcia, M. | 登録日 | 2024-01-30 | 公開日 | 2024-06-19 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (3.31 Å) | 主引用文献 | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators. Nat Commun, 15, 2024
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134L
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8RUN
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![BU of 8run by Molmil](/molmil-images/mine/8run) | Structure of Oceanobacillus iheyensis group II intron in the presence of Li+, Mg2+, and ARN25850 | 分子名称: | 2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Domains 1-5, ... | 著者 | Silvestri, I, Marcia, M. | 登録日 | 2024-01-31 | 公開日 | 2024-06-19 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (3.73 Å) | 主引用文献 | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators. Nat Commun, 15, 2024
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6YUS
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![BU of 6yus by Molmil](/molmil-images/mine/6yus) | Capsule O-acetyltransferase of Neisseria meningitidis serogroup A H228A mutant in complex with CoA | 分子名称: | 1,2-ETHANEDIOL, COENZYME A, DI(HYDROXYETHYL)ETHER, ... | 著者 | Cramer, J.T, Fiebig, T, Fedorov, R, Muehlenhoff, M. | 登録日 | 2020-04-27 | 公開日 | 2020-08-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural and mechanistic basis of capsule O-acetylation in Neisseria meningitidis serogroup A. Nat Commun, 11, 2020
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