3EWN
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3IQ0
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8GOD
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![BU of 8god by Molmil](/molmil-images/mine/8god) | Co-crystal structure of Human Protein-arginine deiminase type-4 (PAD4) with small molecule inhibitor JBI-589 | 分子名称: | Protein-arginine deiminase type-4, [(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone | 著者 | Swaminathan, S, Birudukota, S, Vaithilingam, K, Kandan, S, Asaithambi, K, Kathiresan, N, Gosu, R, Rajagopal, S, Sadhu, N. | 登録日 | 2022-08-24 | 公開日 | 2023-03-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Alleviation of arthritis through prevention of neutrophil extracellular traps by an orally available inhibitor of protein arginine deiminase 4. Sci Rep, 13, 2023
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7TLT
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![BU of 7tlt by Molmil](/molmil-images/mine/7tlt) | SARS-CoV-2 Spike-derived peptide S489-497 (YFPLQSYGF) presented by HLA-A*29:02 | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ... | 著者 | Murdolo, L.D, Szeto, C, Gras, S. | 登録日 | 2022-01-18 | 公開日 | 2022-10-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Ablation of CD8 + T cell recognition of an immunodominant epitope in SARS-CoV-2 Omicron variants BA.1, BA.2 and BA.3. Nat Commun, 13, 2022
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7R63
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6B09
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5W6Z
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5W6X
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5VY2
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5WJI
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6ZZB
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2IRM
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![BU of 2irm by Molmil](/molmil-images/mine/2irm) | Crystal structure of mitogen-activated protein kinase kinase kinase 7 interacting protein 1 from Anopheles gambiae | 分子名称: | mitogen-activated protein kinase kinase kinase 7 interacting protein 1 | 著者 | Jin, X, Bonanno, J.B, Pelletier, L, Freeman, J.C, Wasserman, S, Sauder, J.M, Burley, S.K, Shapiro, L, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2006-10-15 | 公開日 | 2006-11-14 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural genomics of protein phosphatases. J.STRUCT.FUNCT.GENOM., 8, 2007
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2I0O
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![BU of 2i0o by Molmil](/molmil-images/mine/2i0o) | Crystal structure of Anopheles gambiae Ser/Thr phosphatase complexed with Zn2+ | 分子名称: | Ser/Thr phosphatase, ZINC ION | 著者 | Jin, X, Sauder, J.M, Burley, S.K, Shapiro, L, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2006-08-10 | 公開日 | 2006-10-24 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural genomics of protein phosphatases. J.STRUCT.FUNCT.GENOM., 8, 2007
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1JZT
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7TEH
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![BU of 7teh by Molmil](/molmil-images/mine/7teh) | Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-2 | 分子名称: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2022-01-05 | 公開日 | 2022-03-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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7TFR
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![BU of 7tfr by Molmil](/molmil-images/mine/7tfr) | Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with NBH-2 | 分子名称: | (1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2022-01-07 | 公開日 | 2022-03-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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7TDU
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![BU of 7tdu by Molmil](/molmil-images/mine/7tdu) | Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1 | 分子名称: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2022-01-03 | 公開日 | 2022-03-02 | 最終更新日 | 2024-04-03 | 実験手法 | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | 主引用文献 | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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4R5X
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4R76
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4R5T
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4R6T
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8BGF
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5V5W
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5V5V
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![BU of 5v5v by Molmil](/molmil-images/mine/5v5v) | Complex of NLGN2 with MDGA1 Ig1-Ig2 | 分子名称: | MAM domain-containing glycosylphosphatidylinositol anchor protein 1, Neuroligin-2 | 著者 | Gangwar, S.P, Machius, M, Rudenko, G. | 登録日 | 2017-03-15 | 公開日 | 2017-07-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (4.11 Å) | 主引用文献 | Molecular Mechanism of MDGA1: Regulation of Neuroligin 2:Neurexin Trans-synaptic Bridges. Neuron, 94, 2017
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1TK9
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![BU of 1tk9 by Molmil](/molmil-images/mine/1tk9) | Crystal Structure of Phosphoheptose isomerase 1 | 分子名称: | Phosphoheptose isomerase 1 | 著者 | Rajashankar, K.R, Solorzano, V, Kniewel, R, Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2004-06-08 | 公開日 | 2004-06-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structures of two putative phosphoheptose isomerases. Proteins, 63, 2006
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