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3VZN
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BU of 3vzn by Molmil
Crystal structure of the Bacillus circulans endo-beta-(1,4)-xylanase (BcX) N35E mutant with Glu78 covalently bonded to 2-deoxy-2-fluoro-xylobiose
分子名称: Endo-1,4-beta-xylanase, SULFATE ION, beta-D-xylopyranose-(1-4)-1,5-anhydro-2-deoxy-2-fluoro-D-xylitol
著者Ludwiczek, M.L, D'Angelo, I, Yalloway, G.N, Okon, M, Nielsen, J.E, Strynadka, N.C, Withers, S.G, McIntosh, L.P.
登録日2012-10-15
公開日2013-05-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Strategies for modulating the pH-dependent activity of a family 11 glycoside hydrolase
Biochemistry, 52, 2013
3HPX
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BU of 3hpx by Molmil
Crystal structure of Mycobacterium tuberculosis LeuA active site domain 1-425 (truncation mutant delta:426-644)
分子名称: 2-isopropylmalate synthase, GLYCEROL, NICKEL (II) ION
著者Koon, N, Squire, C.J, Baker, E.N.
登録日2009-06-05
公開日2010-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Removal of the C-terminal regulatory domain of alpha-isopropylmalate synthase disrupts functional substrate binding
Biochemistry, 51, 2012
4H6S
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BU of 4h6s by Molmil
Crystal structure of thrombin mutant E14eA/D14lA/E18A/S195A
分子名称: Prothrombin, SODIUM ION
著者Pozzi, N, Chen, Z, Zapata, F, Pelc, L.A, Di Cera, E.
登録日2012-09-19
公開日2013-03-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Autoactivation of thrombin precursors.
J.Biol.Chem., 288, 2013
6PA2
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BU of 6pa2 by Molmil
E. coli L-asparaginase II mutant (K162M) in complex with L-Asp at pH 5.6
分子名称: ASPARTIC ACID, GLYCEROL, L-asparaginase 2
著者Lubkowski, J, Wlodawer, A.
登録日2019-06-11
公開日2019-09-04
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019
3I1J
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BU of 3i1j by Molmil
Structure of a putative short chain dehydrogenase from Pseudomonas syringae
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Singer, A.U, Evdokimova, E, Kudritska, M, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-06-26
公開日2009-07-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of a putative short chain dehydrogenase from Pseudomonas syringae
To be Published
3I4Q
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BU of 3i4q by Molmil
Structure of a putative inorganic pyrophosphatase from the oil-degrading bacterium Oleispira antarctica
分子名称: APC40078, SODIUM ION
著者Singer, A.U, Evdokimova, E, Kagan, O, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-07-02
公開日2009-07-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
3I05
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BU of 3i05 by Molmil
Tryptophanyl-tRNA synthetase from Trypanosoma brucei
分子名称: Tryptophanyl-tRNA synthetase
著者Arakaki, T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2009-06-24
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of three protozoan homologs of tryptophanyl-tRNA synthetase.
Mol.Biochem.Parasitol., 177, 2011
3I0K
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BU of 3i0k by Molmil
Crystal structure of GTB C80S/C196S/C209S + UDP + H antigen
分子名称: ABO glycosyltransferase, URIDINE-5'-DIPHOSPHATE, alpha-L-fucopyranose-(1-2)-hexyl beta-D-galactopyranoside
著者Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V.
登録日2009-06-25
公開日2010-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding
J.Mol.Biol., 402, 2010
3I4I
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BU of 3i4i by Molmil
Crystal structure of a prokaryotic beta-1,3-1,4-glucanase (lichenase) derived from a mouse hindgut metagenome
分子名称: 1,3-1,4-beta-glucanase, CALCIUM ION
著者Nakatani, Y, Nalder, T.D, Tannock, G.W, Cutfield, J.F, Jack, R.W, Carne, A.
登録日2009-07-01
公開日2010-07-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure of a prokaryotic beta-1,3-1,4-glucanase (lichenase) derived from a mouse hindgut metagenome
To be Published
4HFP
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BU of 4hfp by Molmil
Structure of thrombin mutant S195a bound to the active site inhibitor argatroban
分子名称: (2R,4R)-4-methyl-1-(N~2~-{[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-L-arginyl)piperidine-2-carboxylic acid, Prothrombin, SODIUM ION
著者Pozzi, N, Chen, Z, Zapata, F, Lin, W, Barranco-Medina, S, Pelc, L.A, Di Cera, E.
登録日2012-10-05
公開日2013-03-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Autoactivation of thrombin precursors.
J.Biol.Chem., 288, 2013
3HOP
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BU of 3hop by Molmil
Structure of the actin-binding domain of human filamin A
分子名称: Filamin-A, PHOSPHATE ION
著者Clark, A.R, Sawyer, G.M, Robertson, S.P, Sutherland-Smith, A.J.
登録日2009-06-03
公開日2009-10-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Skeletal dysplasias due to filamin A mutations result from a gain-of-function mechanism distinct from allelic neurological disorders
Hum.Mol.Genet., 18, 2009
3HQ1
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BU of 3hq1 by Molmil
Crystal structure of Mycobacterium tuberculosis LeuA complexed with citrate and Mn2+
分子名称: 2-isopropylmalate synthase, CHLORIDE ION, CITRATE ANION, ...
著者Koon, N, Squire, C.J, Baker, E.N.
登録日2009-06-05
公開日2010-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Probing the active site of M. tuberculosis LeuA
To be Published
3VG2
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BU of 3vg2 by Molmil
Iodide derivative of human LFABP
分子名称: Fatty acid-binding protein, liver, IODIDE ION, ...
著者Sharma, A, Yogavel, M, Sharma, A.
登録日2011-08-03
公開日2012-06-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
3VMO
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BU of 3vmo by Molmil
Crystal structure of dextranase from Streptococcus mutans in complex with isomaltotriose
分子名称: Dextranase, PHOSPHATE ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose, ...
著者Suzuki, N, Fujimoto, Z, Kim, Y.M, Momma, M, Okuyama, M, Mori, H, Funane, K, Kimura, A.
登録日2011-12-14
公開日2012-02-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural elucidation of dextran degradation mechanism by streptococcus mutans dextranase belonging to glycoside hydrolase family 66
J.Biol.Chem., 287, 2012
3HPK
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BU of 3hpk by Molmil
Oxidized dimeric PICK1 PDZ in complex with the carboxyl tail peptide of GluR2
分子名称: GLYCEROL, PRKCA-binding protein,9-mer peptide of THE GLUR2 SUBUNIT
著者Yu, J, Shi, Y, Zhang, M.
登録日2009-06-04
公開日2010-06-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Redox-Regulated Lipid Membrane Binding of the PICK1 PDZ Domain.
Biochemistry, 49, 2010
3VV8
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BU of 3vv8 by Molmil
Crystal structure of beta secetase in complex with 2-amino-3-methyl-6-((1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl)pyrimidin-4(3H)-one
分子名称: 2-amino-3-methyl-6-[(1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl]pyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL
著者Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S.
登録日2012-07-17
公開日2012-10-24
最終更新日2013-09-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode.
J.Med.Chem., 55, 2012
3W1F
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BU of 3w1f by Molmil
Crystal structure of Human MPS1 catalytic domain in complex with 5-(5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)-2-methylbenzenesulfonamide
分子名称: 5-[5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide, Dual specificity protein kinase TTK
著者Kusakabe, K, Ide, N, Daigo, Y, Tachibana, Y, Itoh, T, Yamamoto, T, Hashizume, H, Hato, Y, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Higaki, M, Ueda, K, Yoshizawa, H, Baba, Y, Shiota, T, Murai, H, Nakamura, Y.
登録日2012-11-14
公開日2013-06-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Indazole-based potent and cell-active Mps1 kinase inhibitors: rational design from pan-kinase inhibitor anthrapyrazolone (SP600125)
J.Med.Chem., 56, 2013
3IHZ
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BU of 3ihz by Molmil
Crystal structure of the FK506 binding domain of Plasmodium vivax FKBP35 in complex with FK506
分子名称: 70 kDa peptidylprolyl isomerase, putative, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN
著者Qureshi, I.A, Alag, R, Yoon, H.S, Lescar, J.
登録日2009-07-31
公開日2010-06-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献NMR and crystallographic structures of the FK506 binding domain of human malarial parasite Plasmodium vivax FKBP35
Protein Sci., 19, 2010
3VID
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BU of 3vid by Molmil
Crystal structure of human VEGFR2 kinase domain with Compound A.
分子名称: 4,5,6,11-tetrahydro-1H-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole, Vascular endothelial growth factor receptor 2
著者Iwata, H, Oki, H, Okada, K, Takagi, T, Tawada, M, Miyazaki, Y, Imamura, S, Hori, A, Hixon, M.S, Kimura, H, Miki, H.
登録日2011-09-29
公開日2012-08-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A Back-to-Front Fragment-Based Drug Design Search Strategy Targeting the DFG-Out Pocket of Protein Tyrosine Kinases.
ACS MED.CHEM.LETT., 3, 2012
3VG5
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BU of 3vg5 by Molmil
Barium derivative of human LFABP
分子名称: BARIUM ION, Fatty acid-binding protein, liver, ...
著者Sharma, A, Yogavel, M, Sharma, A.
登録日2011-08-03
公開日2012-06-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
3IWY
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BU of 3iwy by Molmil
Crystal structure of human MDM2 complexed with D-peptide (12 residues)
分子名称: D-peptide inhibitor, E3 ubiquitin-protein ligase Mdm2
著者Pazgier, M, Lu, W.
登録日2009-09-03
公開日2010-04-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献D-peptide inhibitors of the p53-MDM2 interaction for targeted molecular therapy of malignant neoplasms.
Proc.Natl.Acad.Sci.USA, 398, 2010
4HKP
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BU of 4hkp by Molmil
Crystal structure of human orotidine 5'-monophosphate decarboxylase complexed with CMP-N3-oxide
分子名称: 5-hydroxycytidine 5'-(dihydrogen phosphate), GLYCEROL, N-hydroxycytidine 5'-(dihydrogen phosphate), ...
著者To, T.K, Kotra, L.P, Pai, E.F.
登録日2012-10-15
公開日2012-11-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Novel cytidine-based orotidine-5'-monophosphate decarboxylase inhibitors with an unusual twist.
J.Med.Chem., 55, 2012
6T38
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BU of 6t38 by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BROMIDE ION, CHLORIDE ION, ...
著者Alphey, M.S, Xiao, G, Westwood, J.N.
登録日2019-10-10
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design.
Bioorg.Med.Chem., 50, 2021
3VNA
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BU of 3vna by Molmil
Structural insights into small RNA sorting and mRNA binding by Arabidopsis Ago Mid domains
分子名称: Protein argonaute 1, SULFATE ION
著者Yuan, Y.A, Zha, X.
登録日2012-01-11
公開日2012-10-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into small RNA sorting and mRNA target binding by Arabidopsis Argonaute Mid domains
Febs Lett., 586, 2012
4HO1
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BU of 4ho1 by Molmil
The Crystal structure of Haemophilus influenzae O-acetylserine sulfhydrylase at 1.85A resolution
分子名称: 1,2-ETHANEDIOL, Cysteine synthase, GLYCEROL
著者Banerjee, S, Singh, A.K, Kumaran, S.
登録日2012-10-22
公開日2013-11-13
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.856 Å)
主引用文献The Crystal structure of Haemophilus influenzae O-acetylserine sulfhydrylase at 1.85A resolution
TO BE PUBLISHED

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