5S7F
 
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010935a | | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | | 登録日 | 2020-12-11 | | 公開日 | 2021-06-23 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | XChem group deposition
To Be Published
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5S7O
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM007391c | | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | | 登録日 | 2020-12-11 | | 公開日 | 2021-06-23 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | XChem group deposition
To Be Published
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5S80
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010946a | | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | | 登録日 | 2020-12-11 | | 公開日 | 2021-06-23 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | XChem group deposition
To Be Published
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2Y4K
 | | MANNOSYLGLYCERATE SYNTHASE IN COMPLEX WITH MG-GDP | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FORMIC ACID, ... | | 著者 | Nielsen, M.M, Suits, M.D.L, Yang, M, Barry, C.S, Martinez-Fleites, C, Tailford, L.E, Flint, J.E, Davis, B.G, Davies, G.J, Gilbert, H.J. | | 登録日 | 2011-01-07 | | 公開日 | 2011-02-02 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Substrate and Metal Ion Promiscuity in Mannosylglycerate Synthase.
J.Biol.Chem., 286, 2011
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2Y0P
 | | Crystal structure of the SucA domain of Mycobacterium smegmatis alpha- ketoglutarate decarboxylase in complex with the enamine-ThDP intermediate and acetyl-CoA | | 分子名称: | (4E)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-2(3H)-ylidene}-4-hydroxybutanoic acid, 2-OXOGLUTARATE DECARBOXYLASE, ACETYL COENZYME *A, ... | | 著者 | Wagner, T, Bellinzoni, M, Wehenkel, A.M, O'Hare, H.M, Alzari, P.M. | | 登録日 | 2010-12-07 | | 公開日 | 2011-06-15 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Functional Plasticity and Allosteric Regulation of Alpha-Ketoglutarate Decarboxylase in Central Mycobacterial Metabolism.
Chem.Biol., 18, 2011
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5S82
 | | XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035128c | | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | | 登録日 | 2020-12-11 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | XChem group deposition
To Be Published
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5POE
 | | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10188a and N07807b | | 分子名称: | 1,2-ETHANEDIOL, 1-methyl-4-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole, 6-amino-1-methylquinolin-2(1H)-one, ... | | 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 | 2017-03-15 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.518 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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6MM5
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5XDL
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3R7Y
 | | CDK2 in complex with inhibitor KVR-2-88 | | 分子名称: | 1,2-ETHANEDIOL, 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-(morpholin-4-yl)-5-nitrobenzamide, Cyclin-dependent kinase 2 | | 著者 | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | 登録日 | 2011-03-23 | | 公開日 | 2012-08-08 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
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3GGX
 | | HIV Protease, pseudo-symmetric inhibitors | | 分子名称: | V-1 protease, methyl [(1S)-1-{[(1R,3S,4S)-4-{[(2S)-3,3-dimethyl-2-{3-[(6-methylpyridin-2-yl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-1-yl}butanoyl]amino}-3-hydroxy-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate | | 著者 | Stoll, V.S. | | 登録日 | 2009-03-02 | | 公開日 | 2009-05-26 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | 2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus
protease inhibitors (A-792611 and A-790742) with potential for convenient
dosing and reduced side effects.
J.Med.Chem., 52, 2009
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5POQ
 | | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10974a | | 分子名称: | 1,2-ETHANEDIOL, 1-[4-(methylsulfonyl)piperazin-1-yl]ethan-1-one, Bromodomain-containing protein 1, ... | | 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 | 2017-03-15 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.97 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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3R8U
 | | CDK2 in complex with inhibitor RC-1-132 | | 分子名称: | Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](naphthalen-2-yl)methanone | | 著者 | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | 登録日 | 2011-03-24 | | 公開日 | 2012-10-31 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
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4D1J
 | | The structure of the GH35 beta-galactosidase Bgl35A from Cellvibrio japonicas in complex with 1-Deoxygalactonojirimycin | | 分子名称: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, ACETATE ION, BETA-GALACTOSIDASE, ... | | 著者 | Larsbrink, J, Thompson, A.J, Lundqvist, M, Gardner, J.G, Davies, G.J, Brumer, H. | | 登録日 | 2014-05-02 | | 公開日 | 2014-05-28 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A Complex Gene Locus Enables Xyloglucan Utilization in the Model Saprophyte Cellvibrio Japonicus.
Mol.Microbiol., 94, 2014
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9GTK
 | | KRAS in complex with DARPin 784_F5 | | 分子名称: | 1,2-ETHANEDIOL, DARPin 784_F5, Isoform 2B of GTPase KRas, ... | | 著者 | Kapp, J.N, Verdurmen, W, Schaefer, J.V, Kopra, K, Nagy-Davidescu, G, Richard, E, Nokin, M.J, Ernst, P, Tamaskovic, R, Schwill, M, Degen, R, Scholl, C, Santamaria, D, Plueckthun, A. | | 登録日 | 2024-09-18 | | 公開日 | 2025-06-25 | | 最終更新日 | 2025-11-19 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A nucleotide-independent, pan-RAS-targeted DARPin elicits anti-tumor activity in a multimodal manner.
Mol Oncol, 19, 2025
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7K93
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4JTD
 | | Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Lys27Met mutant of Charybdotoxin | | 分子名称: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ... | | 著者 | Banerjee, A, Lee, A, Campbell, E, MacKinnon, R. | | 登録日 | 2013-03-23 | | 公開日 | 2013-06-12 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | | 主引用文献 | Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel.
Elife, 2, 2013
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7K5I
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3FUM
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3FZL
 | | Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, BAG family molecular chaperone regulator 1, ... | | 著者 | Dokurno, P, Williamson, D.S, Murray, J.B, Surgenor, A.E. | | 登録日 | 2009-01-26 | | 公開日 | 2009-03-17 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Novel adenosine-derived inhibitors of 70 kDa heat shock protein, discovered through structure-based design
J.Med.Chem., 52, 2009
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7F04
 | | Cytochrome c-type biogenesis protein CcmABCD from E. coli in complex with Heme and ATP. | | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, ADENOSINE-5'-TRIPHOSPHATE, Cytochrome c biogenesis ATP-binding export protein CcmA, ... | | 著者 | Li, J, Zheng, W, Gu, M, Zhang, K, Zhu, J.P. | | 登録日 | 2021-06-03 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (2.86 Å) | | 主引用文献 | Structures of the CcmABCD heme release complex at multiple states.
Nat Commun, 13, 2022
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7F03
 | | Cytochrome c-type biogenesis protein CcmABCD from E. coli in complex with ANP | | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, ... | | 著者 | Li, J, Zheng, W, Gu, M, Zhang, K, Zhu, J.P. | | 登録日 | 2021-06-03 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3.29 Å) | | 主引用文献 | Structures of the CcmABCD heme release complex at multiple states.
Nat Commun, 13, 2022
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4KSI
 | | Crystal Structure Analysis of the Acidic Leucine Aminopeptidase of Tomato | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, GLYCEROL, ... | | 著者 | DuPrez, K.T, Scranton, M, Walling, L, Fan, L. | | 登録日 | 2013-05-17 | | 公開日 | 2013-06-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure of tomato wound-induced leucine aminopeptidase sheds light on substrate specificity.
Acta Crystallogr.,Sect.D, 70, 2014
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5T4U
 | | Crystal structure of the bromodomain of human BRPF1 in complex with a quinolinone ligand | | 分子名称: | 1-METHYLQUINOLIN-2(1H)-ONE, NITRATE ION, Peregrin | | 著者 | Tallant, C, Igoe, N, Bayle, E.D, Nunez-Alonso, G, Newman, J.A, Mathea, S, Savitsky, P, Fedorov, O, Brennan, P.E, Muller, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fish, P, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2016-08-30 | | 公開日 | 2017-02-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Design of a Biased Potent Small Molecule Inhibitor of the Bromodomain and PHD Finger-Containing (BRPF) Proteins Suitable for Cellular and in Vivo Studies.
J. Med. Chem., 60, 2017
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7F02
 | | Cytochrome c-type biogenesis protein CcmABCD from E. coli | | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, ... | | 著者 | Li, J, Zheng, W, Gu, M, Zhang, K, Zhu, J.P. | | 登録日 | 2021-06-03 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3.24 Å) | | 主引用文献 | Structures of the CcmABCD heme release complex at multiple states.
Nat Commun, 13, 2022
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