4TN6
 
 | | CK1d in complex with inhibitor | | 分子名称: | 4-{4-(4-fluorophenyl)-1-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl}pyrimidin-2-amine, Casein kinase I isoform delta, SULFATE ION | | 著者 | Liu, S. | | 登録日 | 2014-06-03 | | 公開日 | 2015-08-12 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | CK1D IN COMPLEX WITH inhibitor
To Be Published
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6DYZ
 | | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-((prop-2-yn-1-ylthio)methyl)pyrrolidin-3-ol | | 分子名称: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(prop-2-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | 登録日 | 2018-07-02 | | 公開日 | 2019-03-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
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1JJI
 | | The Crystal Structure of a Hyper-thermophilic Carboxylesterase from the Archaeon Archaeoglobus fulgidus | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carboxylesterase | | 著者 | De Simone, G, Menchise, V, Manco, G, Mandrich, L, Sorrentino, N, Lang, D, Rossi, M, Pedone, C. | | 登録日 | 2001-07-06 | | 公開日 | 2001-12-05 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The crystal structure of a hyper-thermophilic carboxylesterase from the archaeon Archaeoglobus fulgidus.
J.Mol.Biol., 314, 2001
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6DZ2
 | | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol | | 分子名称: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol, 1,2-ETHANEDIOL, ACETIC ACID, ... | | 著者 | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | 登録日 | 2018-07-02 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
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5PW6
 | | PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 257) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION | | 著者 | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | 登録日 | 2017-02-07 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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6A6N
 | | Crystal structure of an inward-open apo state of the eukaryotic ABC multidrug transporter CmABCB1 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP-binding cassette, sub-family B, ... | | 著者 | Kato, H, Nakatsu, T, Kodan, A. | | 登録日 | 2018-06-28 | | 公開日 | 2019-01-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | | 主引用文献 | Inward- and outward-facing X-ray crystal structures of homodimeric P-glycoprotein CmABCB1.
Nat Commun, 10, 2019
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5PWR
 | | PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 15) | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... | | 著者 | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | 登録日 | 2017-02-08 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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5PX2
 | | PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 26) | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... | | 著者 | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | 登録日 | 2017-02-08 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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3KZQ
 | | The crystal structure of the protein with unknown function from Vibrio parahaemolyticus RIMD 2210633 | | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Zhang, R, Weger, A, Shackelford, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2009-12-08 | | 公開日 | 2010-02-02 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The crystal structure of the protein with unknown function from Vibrio parahaemolyticus RIMD 2210633
To be Published
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5PY5
 | | PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 65) | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... | | 著者 | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | 登録日 | 2017-02-08 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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5PYN
 | | PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 83) | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... | | 著者 | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | 登録日 | 2017-02-08 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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6DZW
 | | Cryo-EM structure of the ts2-inactive human serotonin transporter in complex with paroxetine and 15B8 Fab and 8B6 ScFv | | 分子名称: | 15B8 antibody heavy chain, 15B8 antibody light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Coleman, J.A, Yang, D, Gouaux, E. | | 登録日 | 2018-07-05 | | 公開日 | 2019-04-24 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
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5PYZ
 | | PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 95) | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... | | 著者 | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | 登録日 | 2017-02-08 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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5PZF
 | | PanDDA analysis group deposition -- Crystal Structure of SP100 after initial refinement with no ligand modelled (structure 111) | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... | | 著者 | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | 登録日 | 2017-02-08 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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2PO3
 | | Crystal Structure Analysis of DesI in the presence of its TDP-sugar product | | 分子名称: | (2R,3R,4S,5S,6R)-3,4-DIHYDROXY-5-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)IMINO]-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL [(2R,3S,5R)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE, 4-dehydrase | | 著者 | Burgie, E.S, Holden, H.M. | | 登録日 | 2007-04-25 | | 公開日 | 2007-08-14 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Molecular Architecture of DesI: A Key Enzyme in the Biosynthesis of Desosamine
Biochemistry, 46, 2007
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3G82
 | | Complex of GS-alpha with the catalytic domains of mammalian adenylyl cyclase: complex with MANT-ITP and Mn | | 分子名称: | 3'-O-{[2-(methylamino)phenyl]carbonyl}inosine 5'-(tetrahydrogen triphosphate), 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase type 2, ... | | 著者 | Huebner, M, Mou, T.-C, Sprang, S.R, Seifert, R. | | 登録日 | 2009-02-11 | | 公開日 | 2010-02-16 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | | 主引用文献 | 2',3'-(O)-(N-Methyl)anthraniloyl-inosine 5'-triphosphate is the Most Potent Adenylyl Cyclase 1 and 5 Inhibitor Known so far and Effectively Promotes Catalytic Subunit Assembly in the Absence of Forskolin
To be Published
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6OKP
 | | B41 SOSIP.664 in complex with the silent-face antibody SF12 and V3-targeting antibody 10-1074 | | 分子名称: | 10-1074 Heavy Chain,10-1074 Heavy Chain, 10-1074 Light Chain,10-1074 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Barnes, C.O, Bjorkman, P.J. | | 登録日 | 2019-04-14 | | 公開日 | 2019-06-05 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3.28 Å) | | 主引用文献 | Broad and Potent Neutralizing Antibodies Recognize the Silent Face of the HIV Envelope.
Immunity, 50, 2019
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1PU5
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7JYT
 | | hALK in complex with 3-(3-methyl-1H-pyrazol-5-yl)pyridine | | 分子名称: | 3-(3-methyl-1H-pyrazol-5-yl)pyridine, ALK tyrosine kinase receptor, GLYCEROL | | 著者 | McGrath, A.P, Zou, H, Lane, W, Saikatendu, K. | | 登録日 | 2020-08-31 | | 公開日 | 2021-01-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design.
Acs Omega, 5, 2020
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6R6W
 | | Structure of recombinant human butyrylcholinesterase in complex with a fluorescent NBD-based probe | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, ... | | 著者 | Brazzolotto, X, Nachon, F, Knez, D, Gobec, S. | | 登録日 | 2019-03-28 | | 公開日 | 2020-01-15 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.474 Å) | | 主引用文献 | Development of potent reversible selective inhibitors of butyrylcholinesterase as fluorescent probes.
J Enzyme Inhib Med Chem, 35, 2020
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4RV4
 | | 2.65 Angstrom Resolution Crystal Structure of an orotate phosphoribosyltransferase from Bacillus anthracis str. 'Ames Ancestor' in complex with 5-phospho-alpha-D-ribosyl diphosphate (PRPP) | | 分子名称: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, DI(HYDROXYETHYL)ETHER, Orotate phosphoribosyltransferase | | 著者 | Halavaty, A.S, Minasov, G, Shuvalova, L, Winsor, J, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2014-11-24 | | 公開日 | 2014-12-17 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | 2.65 Angstrom resolution crystal structure of an orotate phosphoribosyltransferase from Bacillus anthracis str. 'Ames Ancestor' in complex with 5-phospho-alpha-D-ribosyl diphosphate (PRPP)
To be Published
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1TP7
 | | Crystal Structure of the RNA-dependent RNA Polymerase from Human Rhinovirus 16 | | 分子名称: | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, Genome polyprotein, SULFATE ION | | 著者 | Appleby, T.C, Luecke, H, Shim, J.H, Wu, J.Z, Cheney, I.W, Zhong, W, Vogeley, L, Hong, Z, Yao, N. | | 登録日 | 2004-06-15 | | 公開日 | 2005-06-21 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structure of complete rhinovirus RNA polymerase suggests front loading of protein primer.
J.Virol., 79, 2005
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6A38
 | | MVM NS2 NES in complex with CRM1-Ran-RanBP1 | | 分子名称: | 1,2-ETHANEDIOL, Exportin-1, GLYCEROL, ... | | 著者 | Sun, Q, Li, Y. | | 登録日 | 2018-06-15 | | 公開日 | 2019-06-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Cancer Therapy with Nanoparticle-Medicated Intracellular Expression of Peptide CRM1-Inhibitor.
Int J Nanomedicine, 16, 2021
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4IJP
 | | Crystal Structure of Human PRPF4B kinase domain in complex with 4-{5-[(2-Chloro-pyridin-4-ylmethyl)-carbamoyl]-thiophen-2-yl}-benzo[b]thiophene-2-carboxylic acid amine | | 分子名称: | 4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | | 著者 | Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L. | | 登録日 | 2012-12-22 | | 公開日 | 2013-08-28 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
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7K8N
 | | Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment, C102 | | 分子名称: | C102 Fab Heavy Chain, C102 Fab Light Chain, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Jette, C.A, Barnes, C.O, Bjorkman, P.J. | | 登録日 | 2020-09-27 | | 公開日 | 2020-10-21 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | SARS-CoV-2 neutralizing antibody structures inform therapeutic strategies.
Nature, 588, 2020
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