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4ABE
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BU of 4abe by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
分子名称: (3-PYRAZOL-1-YLPHENYL)METHANAMINE, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Newman, J, Peat, T.S.
登録日2011-12-08
公開日2012-02-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
4AOR
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BU of 4aor by Molmil
Cationic trypsin in complex with the Spinacia oleracea trypsin inhibitor III (SOTI-III)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CATIONIC TRYPSIN, ...
著者Schmelz, S, Glotzbach, B, Reinwarth, M, Christmann, A, Kolmar, H, Heinz, D.W.
登録日2012-03-29
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Structural Characterization of Spinacia Oleracea Trypsin Inhibitor III (Soti-III)
Acta Crystallogr.,Sect.D, 69, 2013
4AML
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BU of 4aml by Molmil
CRYSTAL STRUCTURE OF WHEAT GERM AGGLUTININ ISOLECTIN 1 IN COMPLEX WITH GLYCOSYLURETHAN
分子名称: 2-acetamido-2-deoxy-1-O-(propylcarbamoyl)-alpha-D-glucopyranose, AGGLUTININ ISOLECTIN 1, GLYCEROL
著者Schwefel, D, Maierhofer, C, Beck, J.G, Seeberger, S, Diederichs, K, Moeller, H.M, Welte, W, Wittmann, V.
登録日2012-03-12
公開日2012-04-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Basis of Multivalent Binding to Wheat Germ Agglutinin.
J.Am.Chem.Soc., 132, 2010
4AOC
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BU of 4aoc by Molmil
crystal structure of BC2L-A Lectin from Burkolderia cenocepacia in complex with methyl-heptoside
分子名称: BC2L-A LECTIN, CALCIUM ION, SULFATE ION, ...
著者Marchetti, R, Malinovska, L, Lameignere, E, deCastro, C, Cioci, G, Kosma, P, Wimmerova, M, Molinaro, A, Imberty, A, Silipo, A.
登録日2012-03-26
公開日2012-08-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Burkholderia Cenocepacia Lectin a Binding to Heptoses from the Bacterial Lipopolysaccharide.
Glycobiology, 22, 2012
4ABB
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BU of 4abb by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 1-(1-BENZOTHIOPHEN-3-YL)METHANAMINE, CALCIUM ION, ...
著者Newman, J, Peat, T.S.
登録日2011-12-08
公開日2012-02-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
4AR5
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BU of 4ar5 by Molmil
X-ray crystallographic structure of the oxidised form perdeuterated Pyrococcus furiosus rubredoxin in D2O at 295K (in quartz capillary) to 1.00 Angstrom resolution.
分子名称: FE (III) ION, RUBREDOXIN
著者Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T.
登録日2012-04-20
公開日2012-12-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation Equilibria and Hydronium Ions in Redox Changes
Angew.Chem.Int.Ed.Engl., 52, 2013
4ABH
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BU of 4abh by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 1-(3-PYRROLIDIN-1-YLPHENYL)METHANAMINE, CALCIUM ION, ...
著者Newman, J, Peat, T.S.
登録日2011-12-08
公開日2012-02-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
4ABF
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BU of 4abf by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 1-(5-BROMO-1-BENZOTHIOPHEN-3-YL)METHANAMINE, CALCIUM ION, ...
著者Newman, J, Peat, T.S.
登録日2011-12-08
公開日2012-02-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
4A4B
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BU of 4a4b by Molmil
Structure of modified phosphoTyr371-c-Cbl-UbcH5B-ZAP-70 complex
分子名称: CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE CBL, TYROSINE-PROTEIN KINASE ZAP-70, ...
著者Dou, H, Buetow, L, Hock, A, Sibbet, G.J, Vousden, K.H, Huang, D.T.
登録日2011-10-08
公開日2012-01-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.789 Å)
主引用文献Structural Basis for Autoinhibition and Phosphorylation-Dependent Activation of C-Cbl
Nat.Struct.Mol.Biol., 19, 2012
4ABG
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BU of 4abg by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 1-[3-(4-METHYLPIPERAZIN-1-YL)PHENYL]METHANAMINE, CALCIUM ION, ...
著者Newman, J, Peat, T.S.
登録日2011-12-08
公開日2012-02-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
4AL3
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BU of 4al3 by Molmil
peptide deformylase (Co-form) with mercaptoethanol
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, COBALT (II) ION, ...
著者Palm, G.J, Hinrichs, W.
登録日2012-02-29
公開日2012-04-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献A Fret Enzyme-Based Probe for Monitoring Hydrogen Sulfide.
Inorg.Chem., 51, 2012
4ABA
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BU of 4aba by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine, CALCIUM ION, ...
著者Newman, J, Peat, T.S.
登録日2011-12-08
公開日2012-02-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
4AR6
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BU of 4ar6 by Molmil
X-ray crystallographic structure of the reduced form perdeuterated Pyrococcus furiosus rubredoxin at 295 K (in quartz capillary) to 0.92 Angstroms resolution.
分子名称: FE (III) ION, RUBREDOXIN
著者Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T.
登録日2012-04-20
公開日2012-12-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (0.92 Å)
主引用文献Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation Equilibria and Hydronium Ions in Redox Changes
Angew.Chem.Int.Ed.Engl., 52, 2013
4ANJ
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BU of 4anj by Molmil
MYOSIN VI (MDinsert2-GFP fusion) PRE-POWERSTROKE STATE (MG.ADP.AlF4)
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CALMODULIN, ...
著者Menetrey, J, Isabet, T, Ropars, V, Mukherjea, M, Pylypenko, O, Liu, X, Perez, J, Vachette, P, Sweeney, H.L, Houdusse, A.M.
登録日2012-03-19
公開日2012-10-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Processive Steps in the Reverse Direction Require Uncoupling of the Lead Head Lever Arm of Myosin Vi.
Mol.Cell, 48, 2012
1NMU
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BU of 1nmu by Molmil
MBP-L30
分子名称: 60S ribosomal protein L30, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose-binding periplasmic protein
著者Chao, J.A, Prasad, G.S, White, S.A, Stout, C.D, Williamson, J.R.
登録日2003-01-10
公開日2003-02-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Inherent Protein Structural Flexibility at the RNA-binding Interface of L30e
J.Mol.Biol., 326, 2003
4AB9
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BU of 4ab9 by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 1-(2,3-dihydro-1-benzofuran-5-yl)methanamine, CALCIUM ION, ...
著者Newman, J, Peat, T.S.
登録日2011-12-08
公開日2012-02-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
4AD6
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BU of 4ad6 by Molmil
Synthesis and SAR of guanine based analogues for HPPK inhibitors
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 7-(2-HYDROXYETHYL)-8-MERCAPTOGUANINE
著者Chhabra, S, Peat, T.S, Swarbrick, J.
登録日2011-12-22
公開日2013-01-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Exploring the Chemical Space Around 8-Mercaptoguanine as a Route to New Inhibitors of the Folate Biosynthesis Enzyme Hppk.
Plos One, 8, 2013
3ZSM
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BU of 3zsm by Molmil
Crystal structure of Apo Human Galectin-3 CRD at 1.25 angstrom resolution, at room temperature
分子名称: GALECTIN-3
著者Saraboji, K, Hakansson, M, Diehl, C, Nilsson, U.J, Leffler, H, Akke, M, Logan, D.T.
登録日2011-06-28
公開日2011-12-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The Carbohydrate-Binding Site in Galectin-3 is Pre-Organized to Recognize a Sugar-Like Framework of Oxygens: Ultra-High Resolution Structures and Water Dynamics.
Biochemistry, 51, 2012
4B3N
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BU of 4b3n by Molmil
Crystal structure of rhesus TRIM5alpha PRY/SPRY domain
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MALTOSE-BINDING PERIPLASMIC PROTEIN, TRIPARTITE MOTIF-CONTAINING PROTEIN 5, ...
著者Yang, H, Ji, X, Zhao, Q, Xiong, Y.
登録日2012-07-25
公開日2012-10-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural Insight Into HIV-1 Capsid Recognition by Rhesus Trim5Alpha
Proc.Natl.Acad.Sci.USA, 109, 2012
4AV2
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BU of 4av2 by Molmil
Single particle electron microscopy of PilQ dodecameric complexes from Neisseria meningitidis.
分子名称: PILP PROTEIN, TYPE IV PILUS BIOGENESIS AND COMPETENCE PROTEIN PILQ
著者Berry, J.L, Phelan, M.M, Collins, R.F, Adomavicius, T, Tonjum, T, Frye, S.A, Bird, L, Owens, R, Ford, R.C, Lian, L.Y, Derrick, J.P.
登録日2012-05-23
公開日2012-10-17
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (26 Å)
主引用文献Structure and Assembly of a Trans-Periplasmic Channel for Type Iv Pili in Neisseria Meningitidis.
Plos Pathog., 8, 2012
4B9O
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BU of 4b9o by Molmil
The PR0 Photocycle Intermediate of Photoactive Yellow Protein
分子名称: 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN
著者Schotte, F, Cho, H.S, Kaila, V.R.I, Kamikubo, H, Dashdorj, N, Henry, E.R, Graber, T.J, Henning, R, Wulff, M, Hummer, G, Kataoka, M, Anfinrud, P.A.
登録日2012-09-06
公開日2012-11-14
最終更新日2019-02-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Watching a Signaling Protein Function in Real Time Via 100-Ps Time-Resolved Laue Crystallography
Proc.Natl.Acad.Sci.USA, 109, 2012
4BBV
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BU of 4bbv by Molmil
The PB0 Photocycle Intermediate of Photoactive Yellow Protein
分子名称: 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN
著者Schotte, F, Cho, H.S, Kaila, V.R.I, Kamikubo, H, Dashdorj, N, Henry, E.R, Graber, T.J, Henning, R, Wulff, M, Hummer, G, Kataoka, M, Anfinrud, P.A.
登録日2012-09-28
公開日2012-11-14
最終更新日2019-01-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Watching a Signaling Protein Function in Real Time Via 100-Ps Time-Resolved Laue Crystallography.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AR4
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BU of 4ar4 by Molmil
Neutron crystallographic structure of the reduced form perdeuterated Pyrococcus furiosus rubredoxin to 1.38 Angstrom resolution.
分子名称: FE (III) ION, Rubredoxin, deuterium(1+), ...
著者Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T.
登録日2012-04-20
公開日2013-01-16
最終更新日2024-06-19
実験手法NEUTRON DIFFRACTION (1.381 Å)
主引用文献Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation State Equilibria in Redox Changes.
Angew.Chem.Int.Ed.Engl., 52, 2013
4AR3
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BU of 4ar3 by Molmil
Near-atomic resolution neutron crystallography on the oxidised form perdeuterated Pyrococcus furiosus rubredoxin.
分子名称: FE (III) ION, Rubredoxin, deuterium(1+), ...
著者Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T.
登録日2012-04-20
公開日2013-01-16
最終更新日2024-05-08
実験手法NEUTRON DIFFRACTION (1.05 Å)
主引用文献Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation State Equilibria in Redox Changes.
Angew.Chem.Int.Ed.Engl., 52, 2013
4ABJ
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BU of 4abj by Molmil
Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (IcA)SFTI-1(1,14), that was 1,5-disubstituted with 1,2,3- trizol to mimic a cis amide bond
分子名称: CALCIUM ION, CATIONIC TRYPSIN, DIMETHYLFORMAMIDE, ...
著者Schmelz, S, Empting, M, Tischler, M, Nasu, D, Heinz, D, Kolmar, H.
登録日2011-12-08
公開日2012-03-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Braces for the Peptide Backbone: Insights Into Structure-Activity Relation-Ships of Protease Inhibitor Mimics with Locked Amide Conformations
Angew.Chem.Int.Ed.Engl., 51, 2012

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