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6MGI
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BU of 6mgi by Molmil
Photosynthetic phosphoenolpyruvate carboxylase isoenzyme from maize complexed with the allosteric activator glucose-6-phosphate in its allosteric site
分子名称: 1,2-ETHANEDIOL, 2-PHOSPHOGLYCOLIC ACID, 6-O-phosphono-alpha-D-glucopyranose, ...
著者Gonzalez-Segura, L, Munoz-Clares, R.A.
登録日2018-09-13
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.986 Å)
主引用文献Structural and biochemical evidence of the glucose 6-phosphate-allosteric site of maize C4-phosphoenolpyruvate carboxylase: its importance in the overall enzyme kinetics.
Biochem.J., 477, 2020
2RPR
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BU of 2rpr by Molmil
Solution structure of the fifth FLYWCH domain of FLYWCH-type zinc finger-containing protein 1
分子名称: FLYWCH-type zinc finger-containing protein 1, ZINC ION
著者Enomoto, M, Saito, K, Tochio, N, Kigawa, T, Yokoyama, S, Nameki, N.
登録日2008-07-24
公開日2009-08-04
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the fifth FLYWCH domain of FLYWCH-type zinc finger-containing protein 1
To be Published
5VW1
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BU of 5vw1 by Molmil
Crystal structure of SpyCas9-sgRNA-AcrIIA4 ternary complex
分子名称: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1, DI(HYDROXYETHYL)ETHER, ...
著者Yang, H, Patel, D.J.
登録日2017-05-21
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献Inhibition Mechanism of an Anti-CRISPR Suppressor AcrIIA4 Targeting SpyCas9.
Mol. Cell, 67, 2017
4S24
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BU of 4s24 by Molmil
1.7 Angstrom Crystal Structure of of Putative Modulator of Drug Activity (apo- form) from Yersinia pestis CO92
分子名称: DI(HYDROXYETHYL)ETHER, Modulator of drug activity B, PENTAETHYLENE GLYCOL, ...
著者Minasov, G, Shuvalova, L, Dubrovska, I, Flores, K, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-01-19
公開日2015-02-04
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献1.7 Angstrom Crystal Structure of of Putative Modulator of Drug Activity (apo- form) from Yersinia pestis CO92.
TO BE PUBLISHED
1EGL
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BU of 1egl by Molmil
THE SOLUTION STRUCTURE OF EGLIN C BASED ON MEASUREMENTS OF MANY NOES AND COUPLING CONSTANTS AND ITS COMPARISON WITH X-RAY STRUCTURES
分子名称: EGLIN C
著者Hyberts, S.G, Goldberg, M.S, Havel, T.F, Wagner, G.
登録日1993-09-03
公開日1994-01-31
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The solution structure of eglin c based on measurements of many NOEs and coupling constants and its comparison with X-ray structures.
Protein Sci., 1, 1992
3BO9
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BU of 3bo9 by Molmil
Crystal structure of putative nitroalkan dioxygenase (TM0800) from Thermotoga maritima at 2.71 A resolution
分子名称: 1,2-ETHANEDIOL, NONAETHYLENE GLYCOL, PHOSPHATE ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2007-12-17
公開日2007-12-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Crystal structure of putative nitroalkan dioxygenase (TM0800) from Thermotoga maritima at 2.71 A resolution
To be published
4YH3
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BU of 4yh3 by Molmil
Crystal structure of human BRD4(1) in complex with 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19a)
分子名称: 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4
著者White, A, Lakshminarasimhan, D, Suto, R.K.
登録日2015-02-26
公開日2016-01-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.
Bioorg.Med.Chem.Lett., 25, 2015
6JRK
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BU of 6jrk by Molmil
The structure of co-crystals of 8r-B-EGFR WT complex
分子名称: 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one, Epidermal growth factor receptor
著者Zhu, S.J, Yun, C.H.
登録日2019-04-04
公開日2020-04-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.796 Å)
主引用文献Structure-Based Design of 5-Methylpyrimidopyridone Derivatives as New Wild-Type Sparing Inhibitors of the Epidermal Growth Factor Receptor Triple Mutant (EGFRL858R/T790M/C797S).
J.Med.Chem., 62, 2019
4LQT
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BU of 4lqt by Molmil
1.10A resolution crystal structure of a superfolder green fluorescent protein (W57A) mutant
分子名称: 1,2-ETHANEDIOL, Green fluorescent protein
著者Lovell, S, Xia, Y, Vo, B, Battaile, K.P, Egan, C, Karanicolas, J.
登録日2013-07-19
公開日2013-12-18
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The designability of protein switches by chemical rescue of structure: mechanisms of inactivation and reactivation.
J.Am.Chem.Soc., 135, 2013
6JRJ
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BU of 6jrj by Molmil
The structure of co-crystals of 8r-B-EGFR T790M/C797S complex
分子名称: 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one, Epidermal growth factor receptor
著者Zhu, S.J, Yun, C.H.
登録日2019-04-04
公開日2020-04-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.943 Å)
主引用文献Structure-Based Design of 5-Methylpyrimidopyridone Derivatives as New Wild-Type Sparing Inhibitors of the Epidermal Growth Factor Receptor Triple Mutant (EGFRL858R/T790M/C797S).
J.Med.Chem., 62, 2019
5GGG
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BU of 5ggg by Molmil
Crystal structure of human protein O-mannose beta-1,2-N-acetylglucosaminyltransferase form I
分子名称: Protein O-linked-mannose beta-1,2-N-acetylglucosaminyltransferase 1
著者Kuwabara, N, Senda, T, Kato, R.
登録日2016-06-16
公開日2016-08-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Carbohydrate-binding domain of the POMGnT1 stem region modulates O-mannosylation sites of alpha-dystroglycan
Proc.Natl.Acad.Sci.USA, 113, 2016
5GGN
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BU of 5ggn by Molmil
Crystal structure of N-terminal domain of human protein O-mannose beta-1,2-N-acetylglucosaminyltransferase in complex with GlcNAc-beta-pNP
分子名称: 4-nitrophenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, Protein O-linked-mannose beta-1,2-N-acetylglucosaminyltransferase 1
著者Kuwabara, N, Senda, T, Kato, R.
登録日2016-06-16
公開日2016-08-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.211 Å)
主引用文献Carbohydrate-binding domain of the POMGnT1 stem region modulates O-mannosylation sites of alpha-dystroglycan
Proc.Natl.Acad.Sci.USA, 113, 2016
5H0N
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BU of 5h0n by Molmil
Crystal structure of HIV-1 fusion inhibitor MT-WQ-IDL bound to gp41 NHR
分子名称: HIV-1 fusion inhibitor MT-WQ-IDL, HIV-1 gp41 NHR
著者Zhu, Y, Ye, S, Zhang, R.
登録日2016-10-06
公開日2016-11-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Creating an Artificial Tail Anchor as a Novel Strategy To Enhance the Potency of Peptide-Based HIV Fusion Inhibitors
J. Virol., 91, 2017
5CIB
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BU of 5cib by Molmil
Complex of yeast cytochrome c peroxidase (W191G) bound to 2,4-dimethylaniline with iso-1 cytochrome c
分子名称: 2,4-dimethylaniline, Cytochrome c iso-1, Cytochrome c peroxidase, ...
著者Crane, B.R, Payne, T.M.
登録日2015-07-11
公開日2016-08-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.011 Å)
主引用文献Constraints on the Radical Cation Center of Cytochrome c Peroxidase for Electron Transfer from Cytochrome c.
Biochemistry, 55, 2016
2GZ4
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BU of 2gz4 by Molmil
1.5 A Crystal Structure of a Protein of Unknown Function ATU1052 from Agrobacterium tumefaciens
分子名称: Hypothetical protein Atu1052
著者Zhang, R, Xu, X, Zheng, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-05-10
公開日2006-06-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献1.5A crystal structure of a hypothetical protein Atu1052 from Agrobacterium tumefaciens
To be Published
1SH8
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BU of 1sh8 by Molmil
1.5 A Crystal Structure of a Protein of Unknown Function PA5026 from Pseudomonas aeruginosa, Probable Thioesterase
分子名称: hypothetical protein PA5026
著者Zhang, R, Evdokimova, E, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2004-02-25
公開日2004-07-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献1.5A crystal structure of a hypothetical protein PA5026 from Pseudomonas aeruginosa
To be Published
4LSM
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BU of 4lsm by Molmil
Crystal structure of a glycosomal glyceraldehyde-3-phosphate dehydrogenase from Trypanosoma cruzi
分子名称: 1,2-ETHANEDIOL, Glyceraldehyde 3-phosphate dehydrogenase, cytosolic, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-07-22
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of a glycosomal glyceraldehyde-3-phosphate dehydrogenase from Trypanosoma cruzi
TO BE PUBLISHED
4LYI
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BU of 4lyi by Molmil
Crystal Structure of apo-BRD4(1)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, IODIDE ION, ...
著者Wohlwend, D.
登録日2013-07-31
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
6KEV
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BU of 6kev by Molmil
Reduced phosphoribulokinase from Synechococcus elongatus PCC 7942 complexed with adenosine diphosphate and glucose 6-phosphate
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, ...
著者Yu, A, Xie, Y, Li, M.
登録日2019-07-05
公開日2020-05-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.506139 Å)
主引用文献Photosynthetic Phosphoribulokinase Structures: Enzymatic Mechanisms and the Redox Regulation of the Calvin-Benson-Bassham Cycle.
Plant Cell, 32, 2020
4EGD
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BU of 4egd by Molmil
1.85 Angstrom crystal structure of native hypothetical protein SAOUHSC_02783 from Staphylococcus aureus
分子名称: CALCIUM ION, CHLORIDE ION, Uncharacterized protein SAOUHSC_02783
著者Biancucci, M, Minasov, G, Halavaty, A, Filippova, E.V, Shuvalova, L, Dubrovska, I, Winsor, J, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-03-30
公開日2012-04-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献1.85 Angstrom crystal structure of native hypothetical protein SAOUHSC_02783 from Staphylococcus aureus
TO BE PUBLISHED
5DXK
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BU of 5dxk by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(9s)-bicyclo[3.3.1]non-9-ylmethanediyl]diphenol
分子名称: 4,4'-[(9s)-bicyclo[3.3.1]non-9-ylmethanediyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-23
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.226 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5DWG
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BU of 5dwg by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Triaryl-substituted Imine Analog, 4-{(E)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol
分子名称: 4-{(E)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Wright, N.J, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-09-22
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4MJM
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BU of 4mjm by Molmil
Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase, with a Short Internal Deletion of CBS Domain from Bacillus anthracis str. Ames
分子名称: 1,2-ETHANEDIOL, Inosine-5'-monophosphate dehydrogenase
著者Kim, Y, Makowska-Grzyska, M, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-09-03
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2544 Å)
主引用文献Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase, with a Short Internal Deletion of CBS Domain from Bacillus anthracis str. Ames
To be Published, 2013
5E3D
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BU of 5e3d by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED7
分子名称: 2,8-dithioxo-1,2,3,7,8,9-hexahydro-6H-purin-6-one, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-10-02
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
6KOC
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X-ray Structure of the proton-pumping cytochrome aa3-600 menaquinol oxidase from Bacillus subtilis complexed with 3-iodo-N-oxo-2-heptyl-4-hydroxyquinoline
分子名称: 2-heptyl-3-iodanyl-1-oxidanyl-quinolin-4-one, AA3-600 quinol oxidase subunit I, AA3-600 quinol oxidase subunit IIII, ...
著者Xu, J, Ding, Z, Liu, B, Li, J, Gennis, R.B, Zhu, J.
登録日2019-08-09
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structure of the cytochromeaa3-600 heme-copper menaquinol oxidase bound to inhibitor HQNO shows TM0 is part of the quinol binding site.
Proc.Natl.Acad.Sci.USA, 117, 2020

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