7TF4
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![BU of 7tf4 by Molmil](/molmil-images/mine/7tf4) | Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) spike protein (focused refinement of RBD) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | 著者 | Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S. | 登録日 | 2022-01-06 | 公開日 | 2022-03-30 | 実験手法 | ELECTRON MICROSCOPY (3.01 Å) | 主引用文献 | Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants. Nat Commun, 13, 2022
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6SJT
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1BXZ
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![BU of 1bxz by Molmil](/molmil-images/mine/1bxz) | CRYSTAL STRUCTURE OF A THERMOPHILIC ALCOHOL DEHYDROGENASE SUBSTRATE COMPLEX FROM THERMOANAEROBACTER BROCKII | 分子名称: | 2-BUTANOL, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Li, C, Heatwole, J, Soelaiman, S, Shoham, M. | 登録日 | 1998-10-09 | 公開日 | 2000-02-18 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | 主引用文献 | Crystal structure of a thermophilic alcohol dehydrogenase substrate complex suggests determinants of substrate specificity and thermostability. Proteins, 37, 1999
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6SKW
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![BU of 6skw by Molmil](/molmil-images/mine/6skw) | Crystal structure of the Legionella pneumophila type II secretion system substrate NttE | 分子名称: | 1,2-ETHANEDIOL, NttE | 著者 | Portlock, T.J, Rehman, S, Garnett, J.A. | 登録日 | 2019-08-16 | 公開日 | 2020-05-20 | 最終更新日 | 2020-07-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure, Dynamics and Cellular Insight Into Novel Substrates of theLegionella pneumophilaType II Secretion System. Front Mol Biosci, 7, 2020
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1AG2
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![BU of 1ag2 by Molmil](/molmil-images/mine/1ag2) | PRION PROTEIN DOMAIN PRP(121-231) FROM MOUSE, NMR, 2 MINIMIZED AVERAGE STRUCTURE | 分子名称: | MAJOR PRION PROTEIN | 著者 | Billeter, M, Riek, R, Wider, G, Wuthrich, K, Hornemann, S, Glockshuber, R. | 登録日 | 1997-03-31 | 公開日 | 1997-10-08 | 最終更新日 | 2024-06-05 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR structure of the mouse prion protein domain PrP(121-231). Nature, 382, 1996
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6T2B
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![BU of 6t2b by Molmil](/molmil-images/mine/6t2b) | Glycoside hydrolase family 109 from Akkermansia muciniphila in complex with GalNAc and NAD+. | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, Glycosyl hydrolase family 109 protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Chaberski, E.K, Fredslund, F, Teze, D, Shuoker, B, Kunstmann, S, Karlsson, E.N, Hachem, M.A, Welner, D.H. | 登録日 | 2019-10-08 | 公開日 | 2020-02-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | The Catalytic Acid-Base in GH109 Resides in a Conserved GGHGG Loop and Allows for Comparable alpha-Retaining and beta-Inverting Activity in an N-Acetylgalactosaminidase from Akkermansia muciniphila Acs Catalysis, 2020
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6TLG
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1BV3
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![BU of 1bv3 by Molmil](/molmil-images/mine/1bv3) | HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH UREA | 分子名称: | 4-(HYDROXYMERCURY)BENZOIC ACID, PROTEIN (CARBONIC ANHYDRASE II), UREA, ... | 著者 | Briganti, F, Mangani, S, Scozzafava, A, Vernaglione, G, Supuran, C.T. | 登録日 | 1998-09-22 | 公開日 | 1999-09-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Carbonic anhydrase catalyzes cyanamide hydration to urea: is it mimicking the physiological reaction? J.Biol.Inorg.Chem., 4, 1999
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6TBX
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![BU of 6tbx by Molmil](/molmil-images/mine/6tbx) | Trypanosoma brucei PTR1 (TbPTR1) in complex with a tricyclic-based inhibitor | 分子名称: | 2,4-bis(azanyl)-9~{H}-pyrimido[4,5-b]indol-6-ol, ACETATE ION, GLYCEROL, ... | 著者 | Landi, G, Tassone, G, Pozzi, C, Mangani, S. | 登録日 | 2019-11-04 | 公開日 | 2020-06-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | High-resolution crystal structure of Trypanosoma brucei pteridine reductase 1 in complex with an innovative tricyclic-based inhibitor. Acta Crystallogr D Struct Biol, 76, 2020
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4JIN
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![BU of 4jin by Molmil](/molmil-images/mine/4jin) | X-ray crystal structure of Archaeoglobus fulgidus Rio1 bound to (2E)-N-benzyl-2-cyano-3-(pyridine-4-yl)acrylamide (WP1086) | 分子名称: | (2E)-N-benzyl-2-cyano-3-(pyridin-4-yl)prop-2-enamide, RIO-type serine/threonine-protein kinase Rio1 | 著者 | Mielecki, M, Krawiec, K, Kiburu, I, Grzelak, K, Wlodzimierz, Z, Kierdaszuk, B, Kowa, K, Fokt, I, Szymanski, S, Piotr, S, Szeja, W, Priebe, W, Lesyng, B, LaRonde-LeBlanc, N. | 登録日 | 2013-03-06 | 公開日 | 2013-04-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.095 Å) | 主引用文献 | Development of novel molecular probes of the Rio1 atypical protein kinase. Biochim.Biophys.Acta, 1834, 2013
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6TLF
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6NRU
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![BU of 6nru by Molmil](/molmil-images/mine/6nru) | Crystal Structure of the Alpha-ribazole Phosphatase from Shigella flexneri | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, CobC, ... | 著者 | Kim, Y, Gu, M, Shatsman, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2019-01-24 | 公開日 | 2019-03-06 | 最終更新日 | 2019-12-18 | 実験手法 | X-RAY DIFFRACTION (2.505 Å) | 主引用文献 | Crystal Structure of the Alpha-ribazole Phosphatase from Shigella flexneri To Be Published
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6TM7
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6NVP
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6NVO
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6NF9
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2OH7
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![BU of 2oh7 by Molmil](/molmil-images/mine/2oh7) | The Crystal Structure of Cypovirus Polyhedra containing the Human ZIP-kinase | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, ... | 著者 | Coulibaly, F, Chiu, E, Ikeda, K, Gutmann, S, Haebel, P.W, Schulze-Briese, C, Mori, H, Metcalf, P. | 登録日 | 2007-01-09 | 公開日 | 2007-03-06 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | The molecular organization of cypovirus polyhedra. Nature, 446, 2007
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6O19
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![BU of 6o19 by Molmil](/molmil-images/mine/6o19) | Crystal Structure of Pho7 complex with pho1 promoter site 2 | 分子名称: | DNA (5'-D(*GP*TP*TP*TP*TP*TP*AP*AP*TP*TP*TP*CP*CP*GP*AP*AP*TP*AP*AP*T)-3'), DNA (5'-D(*TP*TP*AP*TP*TP*CP*GP*GP*AP*AP*AP*TP*TP*AP*AP*AP*AP*AP*CP*A)-3'), Transcription factor Pho7, ... | 著者 | Garg, A, Goldgur, Y, Shuman, S. | 登録日 | 2019-02-18 | 公開日 | 2019-04-24 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.596 Å) | 主引用文献 | Structure of Fission Yeast Transcription Factor Pho7 Bound topho1Promoter DNA and Effect of Pho7 Mutations on DNA Binding and Phosphate Homeostasis. Mol.Cell.Biol., 39, 2019
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2OI3
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![BU of 2oi3 by Molmil](/molmil-images/mine/2oi3) | NMR Structure Analysis of the Hematopoetic Cell Kinase SH3 Domain complexed with an artificial high affinity ligand (PD1) | 分子名称: | Tyrosine-protein kinase HCK, artificial peptide PD1 | 著者 | Schmidt, H, Stoldt, M, Hoffmann, S, Tran, T, Willbold, D. | 登録日 | 2007-01-10 | 公開日 | 2007-02-20 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution Structure of a Hck SH3 Domain Ligand
Complex Reveals Novel Interaction Modes J.Mol.Biol., 365, 2007
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6TXC
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![BU of 6txc by Molmil](/molmil-images/mine/6txc) | Crystal structure of tetrameric human wt-SAMHD1 (residues 109-626) with GTP, dATP, dCMPNPP and Mg | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | 著者 | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A, Kelly, G, Taylor, I.A. | 登録日 | 2020-01-14 | 公開日 | 2020-06-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis. Nat Commun, 11, 2020
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6TVP
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![BU of 6tvp by Molmil](/molmil-images/mine/6tvp) | Structure of Mycobacterium smegmatis alpha-maltose-1-phosphate synthase GlgM | 分子名称: | Alpha-maltose-1-phosphate synthase, SODIUM ION | 著者 | Syson, K, Stevenson, C.E.M, Lawson, D.M, Bornemann, S. | 登録日 | 2020-01-10 | 公開日 | 2020-04-22 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of the Mycobacterium smegmatis alpha-maltose-1-phosphate synthase GlgM. Acta Crystallogr.,Sect.F, 76, 2020
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6TXF
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![BU of 6txf by Molmil](/molmil-images/mine/6txf) | Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dAMPNPP and Mn | 分子名称: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | 著者 | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A. | 登録日 | 2020-01-14 | 公開日 | 2020-06-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis. Nat Commun, 11, 2020
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6TX0
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![BU of 6tx0 by Molmil](/molmil-images/mine/6tx0) | Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dAMPNPP and Mg | 分子名称: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | 著者 | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A. | 登録日 | 2020-01-13 | 公開日 | 2020-06-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis. Nat Commun, 11, 2020
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6TFP
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![BU of 6tfp by Molmil](/molmil-images/mine/6tfp) | BTK in complex with LOU064, a potent and highly selective covalent inhibitor | 分子名称: | SODIUM ION, Tyrosine-protein kinase BTK, ~{N}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide | 著者 | Scheufler, C, Hinniger, A, Gutmann, S. | 登録日 | 2019-11-14 | 公開日 | 2020-03-04 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J.Med.Chem., 63, 2020
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7TEW
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![BU of 7tew by Molmil](/molmil-images/mine/7tew) | Cryo-EM structure of SARS-CoV-2 Delta (B.1.617.2) spike protein in complex with human ACE2 (focused refinement of RBD and ACE2) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | 著者 | Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S. | 登録日 | 2022-01-06 | 公開日 | 2022-03-16 | 実験手法 | ELECTRON MICROSCOPY (3.52 Å) | 主引用文献 | Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants. Nat Commun, 13, 2022
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