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PDB: 3272 件

2W6N
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Crystal structure of Biotin carboxylase from E. coli in complex with amino-oxazole fragment series
分子名称: 2-AMINO-N,N-BIS(PHENYLMETHYL)-1,3-OXAZOLE-5-CARBOXAMIDE, BIOTIN CARBOXYLASE, CHLORIDE ION
著者Mochalkin, I, Miller, J.R.
登録日2008-12-18
公開日2009-05-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
2PI4
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T7RNAP complexed with a phi10 protein and initiating GTPs.
分子名称: 3'-DEOXY-GUANOSINE-5'-TRIPHOSPHATE, 5'-D(*CP*TP*TP*CP*CP*TP*AP*TP*AP*GP*TP*GP*AP*GP*TP*CP*GP*TP*AP*TP*TP*A)-3', 5'-D(*TP*AP*AP*TP*AP*CP*GP*AP*CP*TP*CP*AP*CP*T)-3', ...
著者Kennedy, W.P, Momand, J.R, Yin, Y.W.
登録日2007-04-12
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mechanism for de novo RNA synthesis and initiating nucleotide specificity by t7 RNA polymerase.
J.Mol.Biol., 370, 2007
6WJS
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Apo structure of the FMN riboswitch aptamer domain in the presence of phosphate
分子名称: PHOSPHATE ION, RNA (112-MER)
著者Wilt, H.M, Wang, Y.-X, Stagno, J.R.
登録日2020-04-14
公開日2020-09-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献FMN riboswitch aptamer symmetry facilitates conformational switching through mutually exclusive coaxial stacking configurations.
J Struct Biol X, 4, 2020
2VYQ
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FERREDOXIN:NADP REDUCTASE MUTANT WITH THR 155 REPLACED BY GLY, ALA 160 REPLACED BY THR, LEU 263 REPLACED BY PRO AND TYR 303 REPLACED BY SER (T155G-A160T-L263P-Y303S)
分子名称: FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Herguedas, B, Martinez-Julvez, M, Hermoso, J.A, Peregrina, J.R, Medina, M.
登録日2008-07-28
公開日2009-04-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Protein Motifs Involved in Coenzyme Interaction and Enzymatic Efficiency in Anabaena Ferredoxin-Nadp+ Reductase.
Biochemistry, 48, 2009
3NPL
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Structure of Ru(bpy)2(A-Phen)(K97C) P450 BM3 heme domain, a ruthenium modified P450 BM3 mutant
分子名称: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
著者Ener, M, Lee, Y.-T, Goodin, D.B, Winkler, J.R, Gray, H.B, Cheruzel, L.
登録日2010-06-28
公開日2010-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of Ru(bpy)2(A-Phen)(K97C) P450 BM3 heme domain, a ruthenium modified P450 BM3 mutant
To be Published
2X62
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CRYSTAL STRUCTURE OF THE SIALYLTRANSFERASE CST-II Y81F IN COMPLEX WITH CMP
分子名称: 1,2-ETHANEDIOL, ALPHA-2,3-/2,8-SIALYLTRANSFERASE, N3-PROTONATED CYTIDINE-5'-MONOPHOSPHATE
著者Lee, H.J, Lairson, L.L, Rich, J.R, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J.
登録日2010-02-14
公開日2011-02-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and Kinetic Analysis of Substrate Binding to the Sialyltransferase Cst-II from Campylobacter Jejuni.
J.Biol.Chem., 286, 2011
2OSA
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The Rho-GAP domain of human N-chimaerin
分子名称: N-chimaerin
著者Walker, J.R, Hong, B.S, Shen, L, Arrowsmith, C.H, Sundstrom, M, Weigelt, J, Edwards, A.M, Bochkarev, A, Park, H.W, Structural Genomics Consortium (SGC)
登録日2007-02-05
公開日2007-03-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the Rho-GAP domain from human N-chimaerin
To be Published
2WYJ
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BU of 2wyj by Molmil
Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs
分子名称: (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1S)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN
著者Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J.
登録日2009-11-16
公開日2010-12-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs
Bioorg.Med.Chem.Lett., 20, 2010
3P1I
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Ligand binding domain of human ephrin type-B receptor 3
分子名称: CHLORIDE ION, Ephrin type-B receptor 3, SULFATE ION
著者Walker, J.R, Yermekbayeva, L, Seitova, A, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2010-09-30
公開日2011-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ligand Binding Domain of Human Ephb3
To be Published
6WIA
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CRYSTAL STRUCTURE OF HUMAN PROTECTIVE PROTEIN/CATHEPSIN A, DFP-INHIBITED (AGED)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CADMIUM ION, ...
著者Compton, J.R, Legler, P.M.
登録日2020-04-09
公開日2020-04-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structural and kinetic evidence of aging after organophosphate inhibition of human Cathepsin A.
Biochem. Pharmacol., 177, 2020
2VH6
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Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with biaryl P4 motifs
分子名称: 2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN
著者Young, R.J, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chan, C, Charbaut, M, Chung, C.W, Convery, M.A, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A.N, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E.
登録日2007-11-19
公開日2008-12-16
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Biaryl P4 Motifs.
Bioorg.Med.Chem.Lett., 18, 2008
2VB0
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BU of 2vb0 by Molmil
Crystal structure of coxsackievirus B3 proteinase 3C
分子名称: CHLORIDE ION, POLYPROTEIN 3BCD
著者Anand, K, Mesters, J.R, Goerlach, R, Zell, R, Hilgenfeld, R.
登録日2007-09-05
公開日2008-10-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of Coxsackie Virus B3 Proteinase 3C
To be Published
2Q20
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Structure of the germline Vk1 O18/O8 light chain variable domain homodimer
分子名称: Vk1 O18/O8 germline light chain variable domain
著者Thompson, J.R, Ramirez-Alvarado, M, Baden, E.M.
登録日2007-05-25
公開日2008-04-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Altered dimer interface decreases stability in an amyloidogenic protein.
J.Biol.Chem., 283, 2008
2Q2G
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BU of 2q2g by Molmil
Crystal structure of dimerization domain of HSP40 from Cryptosporidium parvum, cgd2_1800
分子名称: Heat shock 40 kDa protein, putative (fragment), SULFATE ION
著者Wernimont, A.K, Lew, J, Lin, L, Hassanali, A, Kozieradzki, I, Wasney, G, Vedadi, M, Walker, J.R, Zhao, Y, Schapira, M, Bochkarev, A, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Hui, R, Brokx, S, Structural Genomics Consortium (SGC)
登録日2007-05-28
公開日2007-06-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of dimerization domain of HSP40 from Cryptosporidium parvum, cgd2_1800.
To be Published
2X3U
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Ferredoxin-NADP reductase mutant with Tyr 303 replaced by Phe (Y303F)
分子名称: FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Herguedas, B, Martinez-Julvez, M, Hermoso, J.A, Peregrina, J.R, Sanchez-Azqueta, A, Medina, M.
登録日2010-01-27
公開日2010-05-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Role of Specific Residues in Coenzyme Binding, Charge-Transfer Complex Formation, and Catalysis in Anabaena Ferredoxin Nadp(+)-Reductase.
Biochim.Biophys.Acta, 1797, 2010
3MHU
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Crystal structure of dihydroorotate dehydrogenase from Leishmania major in complex with 5-Nitroorotic acid
分子名称: 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ...
著者Pinheiro, M.P, Rocha, J.R, Cheleski, J, Montanari, C.A, Nonato, M.C.
登録日2010-04-08
公開日2011-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Novel insights for dihydroorotate dehydrogenase class 1A inhibitors discovery.
Eur.J.Med.Chem., 45, 2010
2P82
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Cysteine protease ATG4A
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Cysteine protease ATG4A
著者Walker, J.R, Davis, T, Mujib, S, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2007-03-21
公開日2007-04-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human cysteine protease ATG4A
To be Published
2PNY
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Structure of Human Isopentenyl-diphosphate Delta-isomerase 2
分子名称: CALCIUM ION, GLYCEROL, Isopentenyl-diphosphate Delta-isomerase 2, ...
著者Walker, J.R, Davis, T, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2007-04-25
公開日2007-05-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structure of the human Isopentenyl-diphosphate Delta-isomerase 2.
To be Published
2PI5
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BU of 2pi5 by Molmil
T7 RNA polymerase complexed with a phi10 promoter
分子名称: 5'-D(*CP*TP*TP*C*CP*TP*AP*TP*AP*GP*TP*GP*AP*GP*TP*CP*GP*TP*AP*TP*TP*A)-3', 5'-D(*TP*AP*AP*TP*AP*CP*GP*AP*CP*TP*CP*AP*CP*T)-3', DNA-directed RNA polymerase
著者Kennedy, W.P, Momand, J.R, Yin, Y.W.
登録日2007-04-12
公開日2007-06-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Mechanism for de novo RNA synthesis and initiating nucleotide specificity by t7 RNA polymerase.
J.Mol.Biol., 370, 2007
2X77
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Crystal Structure of Leishmania major ADP ribosylation factor-like 1.
分子名称: ADP-RIBOSYLATION FACTOR, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Fleming, J.R, Dawson, A, Hunter, W.N.
登録日2010-02-24
公開日2010-03-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Leishmania Major Adp Ribosylation Factor-Like 1 and a Classification of Related Gtpase Family Members in This Kinetoplastid.
Mol.Biochem.Parasitol., 174, 2010
3MZL
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Sec13/Sec31 edge element, loop deletion mutant
分子名称: Protein transport protein SEC13, Protein transport protein SEC31
著者Whittle, J.R, Schwartz, T.U.
登録日2010-05-12
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the Sec13-Sec16 edge element, a template for assembly of the COPII vesicle coat.
J.Cell Biol., 190, 2010
2VJ1
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A Structural View of the Inactivation of the SARS-Coronavirus Main Proteinase by Benzotriazole Esters
分子名称: 4-(DIMETHYLAMINO)BENZOIC ACID, BENZOIC ACID, DIMETHYL SULFOXIDE, ...
著者Verschueren, K.H.G, Pumpor, K, Anemueller, S, Mesters, J.R, Hilgenfeld, R.
登録日2007-12-06
公開日2008-07-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A Structural View of the Inactivation of the Sars Coronavirus Main Proteinase by Benzotriazole Esters.
Chem.Biol., 15, 2008
2V5A
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CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 3
分子名称: 7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine, BIOTIN CARBOXYLASE, CHLORIDE ION
著者Mochalkin, I, Miller, J.R.
登録日2008-10-02
公開日2009-01-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore.
Proc.Natl.Acad.Sci.USA, 106, 2009
2P0R
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Structure of Human Calpain 9 in complex with Leupeptin
分子名称: CALCIUM ION, Calpain-9, leupeptin
著者Davis, T.L, Paramanathan, R, Walker, J.R, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2007-03-01
公開日2007-03-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of Human Minicalpains bound to Inhibitors
To be Published
2UUF
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Thrombin-hirugen binary complex at 1.26A resolution
分子名称: CALCIUM ION, HIRUDIN I, HUMAN ALPHA THROMBIN, ...
著者Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R.
登録日2007-03-02
公開日2007-09-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献The Determination of Protonation States in Proteins.
Acta Crystallogr.,Sect.D, 63, 2007

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