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PDB: 12487 件

6DTX
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BU of 6dtx by Molmil
Wildtype HIV-1 Reverse Transcriptase in complex with JLJ 578
分子名称: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile, GLYCEROL, Reverse transcriptase/ribonuclease H, ...
著者Sasaki, T, Gannam, Z.T.K, Anderson, K.S, Jorgensen, W.L, Lee, W.
登録日2018-06-18
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.327 Å)
主引用文献Molecular and cellular studies evaluating a potent 2-cyanoindolizine catechol diether NNRTI targeting wildtype and Y181C mutant HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 29, 2019
2P4U
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BU of 2p4u by Molmil
Crystal structure of acid phosphatase 1 (Acp1) from Mus musculus
分子名称: Acid phosphatase 1, PHOSPHATE ION
著者Bonanno, J.B, Freeman, J, Bain, K.T, Wu, B, Xu, W, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-03-13
公開日2007-03-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
6C1V
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BU of 6c1v by Molmil
MBD2 in complex with double-stranded DNA
分子名称: 12-mer DNA, Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION
著者Lei, M, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2018-01-05
公開日2018-02-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for the ability of MBD domains to bind methyl-CG and TG sites in DNA.
J. Biol. Chem., 293, 2018
6BTM
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BU of 6btm by Molmil
Structure of Alternative Complex III from Flavobacterium johnsoniae (Wild Type)
分子名称: (2S)-3-hydroxypropane-1,2-diyl ditetradecanoate, Alternative Complex III subunit A, Alternative Complex III subunit B, ...
著者Sun, C, Benlekbir, S, Venkatakrishnan, P, Yuhang, W, Tajkhorshid, E, Rubinstein, J.L, Gennis, R.B.
登録日2017-12-07
公開日2018-05-09
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of the alternative complex III in a supercomplex with cytochrome oxidase.
Nature, 557, 2018
3L84
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BU of 3l84 by Molmil
High resolution crystal structure of transketolase from Campylobacter jejuni subsp. jejuni NCTC 11168
分子名称: ACETATE ION, GLYCEROL, Transketolase
著者Nocek, B, Makowska-Grzyska, M, Maltseva, N, Grimshaw, S, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-12-29
公開日2010-02-09
最終更新日2012-02-22
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献High resolution crystal structure of transketolase from Campylobacter jejuni subsp. jejuni NCTC 11168
To be Published
2P34
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BU of 2p34 by Molmil
Crystal structure of a lectin from Canavalia maritima seeds (CML) in complex with man1-4man-OMe
分子名称: CALCIUM ION, Lectin, MANGANESE (II) ION, ...
著者Moreno, F.B.M.B, Bezerra, G.A, Oliveira, T.M, Souza, E.P, Rocha, B.A.M, Benevides, R.G, Delatorre, P, Cavada, B.S, de Azevedo Jr, W.
登録日2007-03-08
公開日2008-01-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural analysis of Canavalia maritima and Canavalia gladiata lectins complexed with different dimannosides: new insights into the understanding of the structure-biological activity relationship in legume lectins.
J.Struct.Biol., 160, 2007
6DTW
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BU of 6dtw by Molmil
HIV-1 Reverse Transcriptase Y181C Mutant in complex with JLJ 578
分子名称: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
著者Sasaki, T, Gannam, Z.T.K, Anderson, K.S, Jorgensen, W.L, Lee, W.
登録日2018-06-18
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.742 Å)
主引用文献Molecular and cellular studies evaluating a potent 2-cyanoindolizine catechol diether NNRTI targeting wildtype and Y181C mutant HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 29, 2019
6ASB
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BU of 6asb by Molmil
CXXC and PHD-type zinc finger regions of FBXL19 in complex with DNA
分子名称: DNA (5'-D(*GP*CP*CP*AP*AP*CP*GP*TP*TP*GP*GP*C)-3'), F-box/LRR-repeat protein 19, ZINC ION
著者Liu, K, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2017-08-24
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
6DRU
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BU of 6dru by Molmil
Xylosidase from Aspergillus niger
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Glycosyl hydrolases family 31 family protein, ...
著者Cao, H, Xu, W, Betancourt, M, Walton, J.D, Brumm, P, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2018-06-13
公開日2018-08-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of alpha-Xylosidase fromAspergillus nigerin Complex with a Hydrolyzed Xyloglucan Product and New Insights in Accurately Predicting Substrate Specificities of GH31 Family Glycosidases.
Acs Sustain Chem Eng, 8, 2020
3LD6
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BU of 3ld6 by Molmil
Crystal structure of human lanosterol 14alpha-demethylase (CYP51) in complex with ketoconazole
分子名称: 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Lanosterol 14-alpha demethylase, ...
著者Strushkevich, N, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
登録日2010-01-12
公開日2010-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of human CYP51 inhibition by antifungal azoles.
J.Mol.Biol., 397, 2010
6DU3
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BU of 6du3 by Molmil
Structure of Scp1 D96N bound to REST-pS861/4 peptide
分子名称: Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1, MAGNESIUM ION, REST-pS861
著者Burkholder, N.T, Mayfield, J.E, Yu, X, Irani, S, Arce, D.K, Jiang, F, Matthews, W, Xue, Y, Zhang, Y.J.
登録日2018-06-19
公開日2018-09-26
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Phosphatase activity of small C-terminal domain phosphatase 1 (SCP1) controls the stability of the key neuronal regulator RE1-silencing transcription factor (REST).
J. Biol. Chem., 293, 2018
2QBQ
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BU of 2qbq by Molmil
Crystal structure of ptp1b-inhibitor complex
分子名称: 4-BROMO-3-(CARBOXYMETHOXY)-5-{3-[(3,3,5,5-TETRAMETHYLCYCLOHEXYL)AMINO]PHENYL}THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1
著者Xu, W.
登録日2007-06-18
公開日2008-03-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007
2QBR
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BU of 2qbr by Molmil
Crystal structure of ptp1b-inhibitor complex
分子名称: 5-[3-(BENZYLAMINO)PHENYL]-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1
著者Xu, W.
登録日2007-06-18
公開日2008-03-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007
2QBP
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BU of 2qbp by Molmil
Crystal structure of ptp1b-inhibitor complex
分子名称: 5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1
著者Xu, W.
登録日2007-06-18
公開日2008-03-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007
2P8E
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BU of 2p8e by Molmil
Crystal structure of the serine/threonine phosphatase domain of human PPM1B
分子名称: MAGNESIUM ION, PPM1B beta isoform variant 6
著者Bonanno, J.B, Freeman, J, Bain, K.T, Lau, C, Xu, W, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-03-22
公開日2007-04-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.816 Å)
主引用文献Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
2P37
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BU of 2p37 by Molmil
Crystal structure of a lectin from Canavalia maritima seeds (CML) in complex with man1-3man-OMe
分子名称: CALCIUM ION, Concanavalin A, MANGANESE (II) ION, ...
著者Moreno, F.B.M.B, Bezerra, G.A, Oliveira, T.M, Souza, E.P, Rocha, B.A.M, Benevides, R.G, Delatorre, P, Cavada, B.S, de Azevedo Jr, W.
登録日2007-03-08
公開日2007-11-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural analysis of Canavalia maritima and Canavalia gladiata lectins complexed with different dimannosides: New insights into the understanding of the structure-biological activity relationship in legume lectins.
J.Struct.Biol., 160, 2007
2QE3
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BU of 2qe3 by Molmil
Crystal structure of human tl1a extracellular domain
分子名称: CHLORIDE ION, TNF superfamily ligand TL1A
著者Zhan, C, Yan, Q, Patskovsky, Y, Shi, W, Toro, R, Bonanno, J, Nathenson, S.G, Almo, S.C.
登録日2007-06-22
公開日2007-07-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Biochemical and structural characterization of the human TL1A ectodomain.
Biochemistry, 48, 2009
2QAF
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BU of 2qaf by Molmil
Crystal structure of Plasmodium falciparum orotidine 5'-phosphate decarboxylase covalently modified by 6-iodo-UMP
分子名称: Orotidine 5' monophosphate decarboxylase, SULFATE ION, URIDINE-5'-MONOPHOSPHATE
著者Liu, Y, Lau, W, Bello, A.M, Kotra, L.P, Hui, R, Pai, E.F.
登録日2007-06-15
公開日2008-04-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-activity relationships of C6-uridine derivatives targeting plasmodia orotidine monophosphate decarboxylase
J.Med.Chem., 51, 2008
2QBS
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BU of 2qbs by Molmil
Crystal structure of ptp1b-inhibitor complex
分子名称: 4-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1
著者Xu, W.
登録日2007-06-18
公開日2008-03-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007
2N5K
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BU of 2n5k by Molmil
Regnase-1 Zinc finger domain
分子名称: Ribonuclease ZC3H12A, ZINC ION
著者Yokogawa, M, Tsushima, T, Noda, N.N, Kumeta, H, Adachi, W, Enokizono, Y, Yamashita, K, Standley, D.M, Takeuchi, O, Akira, S, Inagaki, F.
登録日2015-07-18
公開日2016-03-16
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural basis for the regulation of enzymatic activity of Regnase-1 by domain-domain interactions
Sci Rep, 6, 2016
2NPM
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BU of 2npm by Molmil
crystal structure of Cryptosporidium parvum 14-3-3 protein in complex with peptide
分子名称: 14-3-3 domain containing protein, CONSENSUS PEPTIDE FOR 14-3-3 PROTEINS
著者Dong, A, Lew, J, Wasney, G, Ren, H, Lin, L, Hassanali, A, Qiu, W, Zhao, Y, Doyle, D, Vedadi, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Brokx, S, Structural Genomics Consortium (SGC)
登録日2006-10-27
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Characterization of 14-3-3 proteins from Cryptosporidium parvum.
Plos One, 6, 2011
2R2L
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BU of 2r2l by Molmil
Structure of Farnesyl Protein Transferase bound to PB-93
分子名称: FARNESYL DIPHOSPHATE, Farnesyltransferase subunit alpha, Farnesyltransferase subunit beta, ...
著者Strickland, C.O, Voorhis, W.
登録日2007-08-27
公開日2008-03-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase.
Antimicrob.Agents Chemother., 51, 2007
1ALK
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BU of 1alk by Molmil
REACTION MECHANISM OF ALKALINE PHOSPHATASE BASED ON CRYSTAL STRUCTURES. TWO METAL ION CATALYSIS
分子名称: ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Kim, E.E, Wyckoff, W.
登録日1993-03-03
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Reaction mechanism of alkaline phosphatase based on crystal structures. Two-metal ion catalysis.
J.Mol.Biol., 218, 1991
1BVR
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BU of 1bvr by Molmil
M.TB. ENOYL-ACP REDUCTASE (INHA) IN COMPLEX WITH NAD+ AND C16-FATTY-ACYL-SUBSTRATE
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (ENOYL-ACYL CARRIER PROTEIN (ACP) REDUCTASE), TRANS-2-HEXADECENOYL-(N-ACETYL-CYSTEAMINE)-THIOESTER
著者Rozwarski, D.A, Vilcheze, C, Sugantino, M, Bittman, R, Jacobs, W, TB Structural Genomics Consortium (TBSGC)
登録日1998-09-17
公開日1999-09-17
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the Mycobacterium tuberculosis enoyl-ACP reductase, InhA, in complex with NAD+ and a C16 fatty acyl substrate.
J.Biol.Chem., 274, 1999
1KU6
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BU of 1ku6 by Molmil
Fasciculin 2-Mouse Acetylcholinesterase Complex
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ...
著者Bourne, Y, Burmeister, W, Taylor, P, Marchot, P.
登録日2002-01-21
公開日2003-12-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights into ligand interactions at the acetylcholinesterase peripheral anionic site.
EMBO J., 22, 2003

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