4MEB
 
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5EKE
 | | Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB (F215A mutant) | | 分子名称: | MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE, Uncharacterized glycosyltransferase sll0501 | | 著者 | Ardiccioni, C, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Liu, Q, Shapiro, L, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS) | | 登録日 | 2015-11-03 | | 公開日 | 2016-01-06 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (3.001 Å) | | 主引用文献 | Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB and insights into the mechanism of catalysis.
Nat Commun, 7, 2016
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5ELP
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2G26
 | | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | | 分子名称: | (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETIC ACID, Renin | | 著者 | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | | 登録日 | 2006-02-15 | | 公開日 | 2006-06-13 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
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2FS4
 | | Ketopiperazine-Based Renin Inhibitors: Optimization of the C ring | | 分子名称: | (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE, Renin | | 著者 | Holsworth, D.D, Cai, C, Cheng, X.-M, Cody, W.L, Downing, D.M, Erasga, N, Lee, C, Powell, N.A, Edmunds, J.J, Stier, M, Jalaie, M, Zhang, E, McConnell, P, Ryan, M.J, Bryant, J, Li, T, Kasani, A, Hall, E, Subedi, R, Rahim, M, Maiti, S. | | 登録日 | 2006-01-20 | | 公開日 | 2006-06-13 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
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5EOP
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5EKP
 | | Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB (WT) | | 分子名称: | MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE, Uncharacterized glycosyltransferase sll0501 | | 著者 | Ardiccioni, C, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Liu, Q, Shapiro, L, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS) | | 登録日 | 2015-11-03 | | 公開日 | 2016-01-06 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (3.194 Å) | | 主引用文献 | Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB and insights into the mechanism of catalysis.
Nat Commun, 7, 2016
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6DW3
 | | SAMHD1 Bound to Cytarabine-TP in the Catalytic Pocket | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | 著者 | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | | 登録日 | 2018-06-26 | | 公開日 | 2018-10-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5ESG
 | | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73E mutant complexed with itraconazole | | 分子名称: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | | 登録日 | 2015-11-16 | | 公開日 | 2016-11-23 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.981 Å) | | 主引用文献 | Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase.
Antimicrob.Agents Chemother., 62, 2018
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5LCW
 | | Cryo-EM structure of the Anaphase-promoting complex/Cyclosome, in complex with the Mitotic checkpoint complex (APC/C-MCC) at 4.2 angstrom resolution | | 分子名称: | Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ... | | 著者 | Alfieri, C, Chang, L, Zhang, Z, Yang, J, Maslen, S, Skehel, M, Barford, D. | | 登録日 | 2016-06-22 | | 公開日 | 2016-08-10 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | | 主引用文献 | Molecular basis of APC/C regulation by the spindle assembly checkpoint.
Nature, 536, 2016
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5LIQ
 | | The structure of C160S,C508S,C578S mutant of Nt.BspD6I nicking endonuclease at 0.185 nm resolution . | | 分子名称: | GLYCEROL, Nicking endonuclease N.BspD6I, PHOSPHATE ION | | 著者 | Kachalova, G.S, Artyukh, R.I, Perevyazova, T.A, Yunusova, A.K, Popov, A.N, Bartunik, H.D, Zheleznaya, L.A. | | 登録日 | 2016-07-15 | | 公開日 | 2017-08-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural features of Cysteine residues mutation of the nicking endonuclease Nt.BspD6I.
To Be Published
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6OJN
 | | Comparative Model of SGIV Major Coat Protein (MCP) Trimer Based on Cryo-EM Map | | 分子名称: | Major capsid protein | | 著者 | Pintilie, G, Chen, D.-H, Tran, B.N, Jakana, J, Wu, J, Hew, C.L, Chiu, W. | | 登録日 | 2019-04-11 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (8.6 Å) | | 主引用文献 | Segmentation and Comparative Modeling in an 8.6- angstrom Cryo-EM Map of the Singapore Grouper Iridovirus.
Structure, 27, 2019
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4DMA
 | | Crystal structure of ERa LBD in complex with RU100132 | | 分子名称: | 2'-bromo-6'-(furan-3-yl)-4'-(hydroxymethyl)biphenyl-4-ol, Estrogen receptor, Nuclear receptor coactivator 1 | | 著者 | Osz, J, Brelivet, Y, Peluso-Iltis, C, Cura, V, Eiler, S, Ruff, M, Bourguet, W, Rochel, N, Moras, D. | | 登録日 | 2012-02-07 | | 公開日 | 2012-03-07 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for a molecular allosteric control mechanism of cofactor binding to nuclear receptors.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4MC6
 | | HIV protease in complex with SA499 | | 分子名称: | 1,2-ETHANEDIOL, 1-tert-butyl-3-{(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea, CHLORIDE ION, ... | | 著者 | Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C. | | 登録日 | 2013-08-21 | | 公開日 | 2014-04-02 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
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3SVG
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand | | 分子名称: | (1R)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]ethanol, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | 著者 | Filippakopoulos, P, Picaud, S, Felletar, I, Hewings, S.D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Conway, S.J, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2011-07-12 | | 公開日 | 2011-08-10 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand
TO BE PUBLISHED
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8CVN
 | | Cryo-EM Structure of Human 15-PGDH in Complex with Small Molecule SW209415 | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-[butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine | | 著者 | Huang, W, Taylor, D.J. | | 登録日 | 2022-05-18 | | 公開日 | 2023-03-01 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (2.4 Å) | | 主引用文献 | Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system.
Nat Commun, 14, 2023
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1LWJ
 | | CRYSTAL STRUCTURE OF T. MARITIMA 4-ALPHA-GLUCANOTRANSFERASE/ACARBOSE COMPLEX | | 分子名称: | 4-ALPHA-GLUCANOTRANSFERASE, CALCIUM ION, MODIFIED ACARBOSE PENTASACCHARIDE | | 著者 | Roujeinikova, A, Raasch, C, Sedelnikova, S, Liebl, W, Rice, D.W. | | 登録日 | 2002-05-31 | | 公開日 | 2002-08-14 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | CRYSTAL STRUCTURE OF THERMOTOGA MARITIMA 4-ALPHA-GLUCANOTRANSFERASE AND ITS ACARBOSE COMPLEX:
IMPLICATIONS FOR SUBSTRATE SPECIFICITY AND CATALYSIS
J.Mol.Biol., 321, 2002
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1LX7
 | | Structure of E. coli uridine phosphorylase at 2.0A | | 分子名称: | uridine phosphorylase | | 著者 | Burling, T, Buglino, J.A, Kniewel, R, Chadna, T, Beckwith, A, Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2002-06-04 | | 公開日 | 2002-06-12 | | 最終更新日 | 2021-02-03 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure of Escherichia coli uridine phosphorylase at 2.0 A.
Acta Crystallogr.,Sect.D, 59, 2003
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6KIF
 | | Structure of cyanobacterial photosystem I-IsiA-flavodoxin supercomplex | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Cao, P, Cao, D.F, Si, L, Su, X.D, Chang, W.R, Liu, Z.F, Zhang, X.Z, Li, M. | | 登録日 | 2019-07-18 | | 公開日 | 2020-02-12 | | 最終更新日 | 2020-03-04 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structural basis for energy and electron transfer of the photosystem I-IsiA-flavodoxin supercomplex.
Nat.Plants, 6, 2020
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5LHC
 | | The structure of D456A mutant of Nt.BspD6I nicking endonuclease at 0.24 nm resolution . | | 分子名称: | GLYCEROL, Nicking endonuclease N.BspD6I, PHOSPHATE ION | | 著者 | Kachalova, G.S, Yunusova, A.K, Popov, A.N, Artyukh, R.I, Perevyazova, T.A, Bartunik, H.D, Zheleznaya, L.A. | | 登録日 | 2016-07-10 | | 公開日 | 2017-08-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural implication of activity loss by D456A mutant of the nicking endonuclease Nt.BspD6I.
To Be Published
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2FG6
 | | N-succinyl-L-ornithine transcarbamylase from B. fragilis complexed with sulfate and N-succinyl-L-norvaline | | 分子名称: | N-(3-CARBOXYPROPANOYL)-L-NORVALINE, SULFATE ION, putative ornithine carbamoyltransferase | | 著者 | Shi, D, Yu, X, Malamy, M.H, Allewell, N.M, Mendel, T. | | 登録日 | 2005-12-21 | | 公開日 | 2006-05-23 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure and catalytic mechanism of a novel N-succinyl-L-ornithine transcarbamylase in arginine biosynthesis of Bacteroides fragilis.
J.Biol.Chem., 281, 2006
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6DVO
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with Bavarostat | | 分子名称: | 1,2-ETHANEDIOL, 3-fluoro-N-hydroxy-4-[(methyl{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)methyl]benzamide, Hdac6 protein, ... | | 著者 | Porter, N.J, Christianson, D.W. | | 登録日 | 2018-06-24 | | 公開日 | 2018-08-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity.
J. Med. Chem., 61, 2018
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5LI7
 | | Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with 1-(3-(1H-imidazol-1-yl)propyl)-3-((3s,5s,7s)-adamantan-1-yl)urea | | 分子名称: | 1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126 | | 著者 | Levy, C, Munro, A.W, Leys, D. | | 登録日 | 2016-07-14 | | 公開日 | 2016-12-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1.
J. Biol. Chem., 292, 2017
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4DBK
 | | Crystal structure of porcine pancreatic phospholipase A2 complexed with berberine | | 分子名称: | BERBERINE, CALCIUM ION, Phospholipase A2, ... | | 著者 | Naveen, C.D, Abhilash, J, Prasanth, G.K, Sadasivan, C, Haridas, M. | | 登録日 | 2012-01-16 | | 公開日 | 2012-01-25 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of porcine pancreatic phospholipase A2 complexed with berberine
To be Published
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5DUD
 | | Crystal structure of E. coli YbgJK | | 分子名称: | YbgJ, YbgK | | 著者 | Arbing, M.A, Kaufmann, M, Shin, A, Medrano-Soto, A, Cascio, D, Eisenberg, D. | | 登録日 | 2015-09-18 | | 公開日 | 2016-09-28 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal Structure of E. coli YbgJK
To Be Published
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