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2A7F
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On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- The Optimal Data Collection Wavelength
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Mueller-Dieckmann, C, Panjikar, S, Tucker, P.A, Weiss, M.S.
登録日2005-07-05
公開日2005-07-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献On the routine use of soft X-rays in macromolecular crystallography. Part III. The optimal data-collection wavelength.
Acta Crystallogr.,Sect.D, 61, 2005
5X5M
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BU of 5x5m by Molmil
Crystal structure of a hydrolase encoded by lin2189 from Listeria innocua
分子名称: (+)-Yatakemycin, DIMETHYL SULFOXIDE, Lin2189 protein
著者Zhang, J.
登録日2017-02-16
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.211 Å)
主引用文献GyrI-like proteins catalyze cyclopropanoid hydrolysis to confer cellular protection
Nat Commun, 8, 2017
7CPS
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A 2:1 stoichiometric complex of anticancer drug 4'-Epiadriamycin bound to parallel G-quadruplex DNA [d-(TTGGGGT)]4.
分子名称: 4'-EPIDOXORUBICIN, DNA (5'-D(*TP*TP*GP*GP*GP*GP*T)-3')
著者Barthwal, R, Tariq, Z, Pandav, K.
登録日2020-08-07
公開日2021-08-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A 2:1 stoichiometric complex of anticancer drug 4'-Epiadriamycin bound to parallel G-quadruplex DNA [d-(TTGGGGT)]4.
To Be Published
2A7D
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BU of 2a7d by Molmil
On the Routine Use of Soft X-Rays in Macromolecular Crystallography, Part III- The Optimal Data Collection Wavelength
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
著者Mueller-Dieckmann, C, Panjikar, S, Tucker, P.A, Weiss, M.S.
登録日2005-07-05
公開日2005-07-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献On the routine use of soft X-rays in macromolecular crystallography. Part III. The optimal data-collection wavelength.
Acta Crystallogr.,Sect.D, 61, 2005
7CSK
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A 2:1 stoichiometric complex of anticancer drug Adriamycin bound to parallel G-quadruplex DNA [d-(TTGGGGT)]4.
分子名称: DNA (5'-D(*TP*TP*GP*GP*GP*GP*T)-3'), DOXORUBICIN
著者Barthwal, R, Tariq, Z, Pandav, K.
登録日2020-08-15
公開日2021-08-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A 2:1 stoichiometric complex of anticancer drug Adriamycin bound to parallel G-quadruplex DNA [d-(TTGGGGT)]4.
To Be Published
3H9C
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BU of 3h9c by Molmil
Structure of methionyl-tRNA synthetase: crystal form 2
分子名称: CITRIC ACID, Methionyl-tRNA synthetase, ZINC ION
著者Schmitt, E, Tanrikulu, I.C, Yoo, T.H, Panvert, M, Tirrell, D.A, Mechulam, Y.
登録日2009-04-30
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Switching from an induced-fit to a lock-and-key mechanism in an aminoacyl-tRNA synthetase with modified specificity.
J.Mol.Biol., 394, 2009
1K0O
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BU of 1k0o by Molmil
Crystal structure of a soluble form of CLIC1. An intracellular chloride ion channel
分子名称: CHLORIDE INTRACELLULAR CHANNEL PROTEIN 1
著者Harrop, S.J, DeMaere, M.Z, Fairlie, W.D, Reztsova, T, Valenzuela, S.M, Mazzanti, M, Tonini, R, Qiu, M.R, Jankova, L, Warton, K, Bauskin, A.R, Wu, W.M, Pankhurst, S, Campbell, T.J, Breit, S.N, Curmi, P.M.G.
登録日2001-09-19
公開日2001-12-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of a soluble form of the intracellular chloride ion channel CLIC1 (NCC27) at 1.4-A resolution.
J.Biol.Chem., 276, 2001
7DMR
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BU of 7dmr by Molmil
Crystal structure of potassium induced heme modification in yak lactoperoxidase at 2.20 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Singh, P.K, Rani, C, Sharma, P, Sharma, S, Singh, T.P.
登録日2020-12-06
公開日2020-12-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Potassium-induced partial inhibition of lactoperoxidase: structure of the complex of lactoperoxidase with potassium ion at 2.20 angstrom resolution.
J.Biol.Inorg.Chem., 26, 2021
1ZHP
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BU of 1zhp by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Benzamidine (S434A-T475A-K505 Mutant)
分子名称: BENZAMIDINE, GLUTATHIONE, coagulation factor XI
著者Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
登録日2005-04-26
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Mutation of surface residues to promote crystallization of activated factor XI as a complex with benzamidine: an essential step for the iterative structure-based design of factor XI inhibitors.
Acta Crystallogr.,Sect.D, 61, 2005
1AU2
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BU of 1au2 by Molmil
CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PROPANONE INHIBITOR
分子名称: 1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]-3-[[N/N-(4-PYRIDINYLCARBONYL)-L-LEUCYL]AMINO]-2-PROPANOL, CATHEPSIN K
著者Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S.
登録日1997-09-10
公開日1998-10-14
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and Design of Potent and Selective Cathepsin K Inhibitors
J.Am.Chem.Soc., 119, 1997
3EY7
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BU of 3ey7 by Molmil
Structure from the mobile metagenome of V. Cholerae. Integron cassette protein VCH_CASS1
分子名称: Biphenyl-2,3-diol 1,2-dioxygenase III-related protein, CALCIUM ION
著者Harrop, S.J, Deshpande, C.N, Sureshan, V, Boucher, Y, Xu, X, Cui, H, Chang, C, Edwards, A, Joachimiak, A, Savchenko, A, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG)
登録日2008-10-20
公開日2009-01-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure from the mobile metagenome of V. Cholerae. Integron cassette protein VCH_CASS1
To be Published
5X8H
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BU of 5x8h by Molmil
Crystal structure of the ketone reductase ChKRED20 from the genome of Chryseobacterium sp. CA49
分子名称: Short-chain dehydrogenase reductase
著者Zhao, F.J, Jin, Y, Liu, Z.C, Wang, G.G, Wu, Z.L.
登録日2017-03-02
公開日2017-11-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure and iterative saturation mutagenesis of ChKRED20 for expanded catalytic scope
Appl. Microbiol. Biotechnol., 101, 2017
1LWU
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BU of 1lwu by Molmil
Crystal structure of fragment D from lamprey fibrinogen complexed with the peptide Gly-His-Arg-Pro-amide
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yang, Z, Spraggon, G, Pandi, L, Everse, S.J, Riley, M, Doolittle, R.F.
登録日2002-06-03
公開日2002-08-23
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of fragment D from lamprey fibrinogen complexed with the peptide Gly-His-Arg-Pro-amide.
Biochemistry, 41, 2002
5XB8
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BU of 5xb8 by Molmil
Crystal structure of dibenzothiophene monooxygenase (TdsC) from Paenibacillus sp. A11-2
分子名称: SULFATE ION, Thermophilic dibenzothiophene desulfurization enzyme C
著者Hino, T, Hamamoto, H, Ohshiro, T, Nagano, S.
登録日2017-03-16
公開日2017-08-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.795 Å)
主引用文献Crystal structures of TdsC, a dibenzothiophene monooxygenase from the thermophile Paenibacillus sp. A11-2, reveal potential for expanding its substrate selectivity.
J. Biol. Chem., 292, 2017
1M64
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BU of 1m64 by Molmil
Crystal structure of Q363F mutant flavocytochrome c3
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, FUMARIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Mowat, C.G, Pankhurst, K.L, Miles, C.S, Leys, D, Walkinshaw, M.D, Reid, G.A, Chapman, S.K.
登録日2002-07-12
公開日2002-11-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering water to act as an active site acid catalyst in a soluble fumarate reductase
Biochemistry, 41, 2002
5XHF
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BU of 5xhf by Molmil
Crystal structure of Trastuzumab Fab fragment bearing p-azido-L-phenylalanine
分子名称: polypeptide (H chain), polypeptide (L chain)
著者Kuratani, M, Yanagisawa, T, Sakamoto, K, Yokoyama, S.
登録日2017-04-20
公開日2017-12-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.205 Å)
主引用文献Extensive Survey of Antibody Invariant Positions for Efficient Chemical Conjugation Using Expanded Genetic Codes.
Bioconjug. Chem., 28, 2017
3GZJ
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BU of 3gzj by Molmil
Crystal Structure of Polyneuridine Aldehyde Esterase Complexed with 16-epi-Vellosimine
分子名称: 16-epi-Vellosimine, Polyneuridine-aldehyde esterase
著者Yang, L, Hill, M, Wang, M, Panjikar, S, Stoeckigt, J.
登録日2009-04-07
公開日2009-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural basis and enzymatic mechanism of the biosynthesis of C9- from C10-monoterpenoid indole alkaloids
Angew.Chem.Int.Ed.Engl., 48, 2009
2F8P
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Crystal structure of obelin following Ca2+ triggered bioluminescence suggests neutral coelenteramide as the primary excited state
分子名称: CALCIUM ION, N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE, Obelin
著者Liu, Z.J, Stepanyuk, G.A, Vysotski, E.S, Lee, J, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2005-12-03
公開日2006-02-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal structure of obelin after Ca2+-triggered bioluminescence suggests neutral coelenteramide as the primary excited state.
Proc.Natl.Acad.Sci.Usa, 103, 2006
1ZPB
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BU of 1zpb by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 4-Methyl-pentanoic acid {1-[4-guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl-propyl}-amide
分子名称: 4-METHYL-PENTANOIC ACID {1-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYLCARBAMOYL]-2-METHYL-PROPYL}-AMIDE, Coagulation factor XI, SULFATE ION
著者Deng, H, Bannister, T.D, Jin, L, Nagafuji, P, Celatka, C.A, Lin, J, Lazarova, T.I, Rynkiewicz, M.J, Quinn, J, Bibbins, F, Pandey, P, Gorga, J, Babine, R.E, Meyers, H.V, Abdel-Meguid, S.S, Strickler, J.E.
登録日2005-05-16
公開日2006-04-18
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine
Bioorg.Med.Chem.Lett., 16, 2006
1LJ1
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Crystal structure of Q363F/R402A mutant flavocytochrome c3
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, FUMARIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Mowat, C.G, Pankhurst, K.L, Miles, C.S, Leys, D, Walkinshaw, M.D, Reid, G.A, Chapman, S.K.
登録日2002-04-18
公開日2002-11-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineering Water to act as the active site acid catalyst in a soluble fumarate reductase
Biochemistry, 41, 2002
1ZHR
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BU of 1zhr by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Benzamidine (S434A-T475A-C482S-K437A Mutant)
分子名称: BENZAMIDINE, coagulation factor XI
著者Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
登録日2005-04-26
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Mutation of surface residues to promote crystallization of activated factor XI as a complex with benzamidine: an essential step for the iterative structure-based design of factor XI inhibitors.
Acta Crystallogr.,Sect.D, 61, 2005
6AL9
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BU of 6al9 by Molmil
Crystal structure of chorismate mutase from Helicobacter pylori in complex with prephenate
分子名称: Chorismate mutase, P-HYDROXYBENZOIC ACID, PREPHENIC ACID, ...
著者Fan, Y, Jameson, G.B, Panjikar, S, Parker, E.J.
登録日2017-08-07
公開日2018-11-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of chorismate mutase from Helicobacter pylori in complex with prephenate
To Be Published
1M9R
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human endothelial nitric oxide synthase with 3-Bromo-7-Nitroindazole bound
分子名称: 3-BROMO-7-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, ...
著者Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D.
登録日2002-07-29
公開日2002-08-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency
Biochemistry, 41, 2002
1ZHM
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Crystal Structure of the Catalytic Domain of the Coagulation Factor XIa in Complex with Benzamidine (S434A-T475A-K437 Mutant)
分子名称: BENZAMIDINE, GLUTATHIONE, coagulation factor XI
著者Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
登録日2005-04-26
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Mutation of surface residues to promote crystallization of activated factor XI as a complex with benzamidine: an essential step for the iterative structure-based design of factor XI inhibitors.
Acta Crystallogr.,Sect.D, 61, 2005
1UTZ
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Crystal Structure of MMP-12 complexed to (2R)-3-({[4-[(pyridin-4-yl)phenyl]-thien-2-yl}carboxamido)(phenyl)propanoic acid
分子名称: (2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID, ACETOHYDROXAMIC ACID, CALCIUM ION, ...
著者Morales, R, Perrier, S, Florent, J.M, Beltra, J, Dufour, S, De Mendez, I, Manceau, P, Tertre, A, Moreau, F, Compere, D, Dublanchet, A.C, O'Gara, M.
登録日2003-12-12
公開日2004-12-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structures of Novel Non-Peptidic, Non-Zinc Chelating Inhibitors Bound to Mmp-12
J.Mol.Biol., 341, 2004

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