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4DEB
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Aurora A in complex with RK2-17-01
分子名称: 1,2-ETHANEDIOL, 4-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzamide, Aurora kinase A
著者Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
登録日2012-01-20
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Development of o-Chlorophenyl Substituted Pyrimidines as Exceptionally Potent Aurora Kinase Inhibitors.
J.Med.Chem., 55, 2012
2ISE
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BU of 2ise by Molmil
Botulinum Neurotoxin A Light Chain WT Crystal Form A
分子名称: Neurotoxin BoNT/A, ZINC ION
著者Brunger, A.T, Stegmann, C.M.
登録日2006-10-17
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibition of metalloprotease botulinum serotype A from a pseudo-peptide binding mode to a small molecule that is active in primary neurons.
J.Biol.Chem., 282, 2007
4TMK
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BU of 4tmk by Molmil
COMPLEX OF E. COLI THYMIDYLATE KINASE WITH THE BISUBSTRATE INHIBITOR TP5A
分子名称: P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, PROTEIN (THYMIDYLATE KINASE)
著者Lavie, A, Ostermann, N, Schlichting, I.
登録日1998-08-31
公開日1998-11-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural basis for efficient phosphorylation of 3'-azidothymidine monophosphate by Escherichia coli thymidylate kinase.
Proc.Natl.Acad.Sci.USA, 95, 1998
4N7X
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BU of 4n7x by Molmil
The E254A mutant of the sodium bile acid symporter from Yersinia frederiksenii
分子名称: Transporter, sodium/bile acid symporter family
著者Zhou, X, Levin, E.J, Zhou, M, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2013-10-16
公開日2013-12-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of the alternating-access mechanism in a bile acid transporter.
Nature, 505, 2013
4C2C
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BU of 4c2c by Molmil
Crystal structure of the protease CtpB in an active state
分子名称: CARBOXY-TERMINAL PROCESSING PROTEASE CTPB, PEPTIDE1, PEPTIDE2
著者Mastny, M, Heuck, A, Kurzbauer, R, Clausen, T.
登録日2013-08-17
公開日2013-12-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ctpb Assembles a Gated Protease Tunnel Regulating Cell-Cell Signaling During Spore Formation in Bacillus Subtilis.
Cell(Cambridge,Mass.), 155, 2013
4SRN
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BU of 4srn by Molmil
STRUCTURAL CHANGES THAT ACCOMPANY THE REDUCED CATALYTIC EFFICIENCY OF TWO SEMISYNTHETIC RIBONUCLEASE ANALOGS
分子名称: RIBONUCLEASE A, SULFATE ION
著者deMel, V.S.J, Martin, P.D, Doscher, M.S, Edwards, B.F.P.
登録日1991-05-20
公開日1994-12-20
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural changes that accompany the reduced catalytic efficiency of two semisynthetic ribonuclease analogs.
J.Biol.Chem., 267, 1992
5NN9
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BU of 5nn9 by Molmil
REFINED ATOMIC STRUCTURES OF N9 SUBTYPE INFLUENZA VIRUS NEURAMINIDASE AND ESCAPE MUTANTS
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE N9, ...
著者Tulip, W.R, Varghese, J.N, Baker, A.T, Vandonkelaar, A, Laver, W.G, Webster, R.G, Colman, P.M.
登録日1991-03-28
公開日1992-07-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Refined atomic structures of N9 subtype influenza virus neuraminidase and escape mutants.
J.Mol.Biol., 221, 1991
4ROM
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BU of 4rom by Molmil
Deoxyhemoglobin in complex with imidazolylacryloyl derivatives
分子名称: 4-{2-chloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Omar, A.M, Mahran, M.A, Ghatge, M.N, Chowdhury, N, Bamane, F.H.A, El-Araby, M.E, Abdulmalik, O, Safo, M.K.
登録日2014-10-28
公開日2015-05-20
最終更新日2015-06-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of a novel class of covalent modifiers of hemoglobin as potential antisickling agents.
Org.Biomol.Chem., 13, 2015
4STD
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BU of 4std by Molmil
HIGH RESOLUTION STRUCTURES OF SCYTALONE DEHYDRATASE-INHIBITOR COMPLEXES CRYSTALLIZED AT PHYSIOLOGICAL PH
分子名称: N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE, Scytalone dehydratase
著者Wawrzak, Z, Sandalova, T, Steffens, J.J, Basarab, G.S, Lundqvist, T, Lindqvist, Y, Jordan, D.B.
登録日1999-02-10
公開日1999-12-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献High-resolution structures of scytalone dehydratase-inhibitor complexes crystallized at physiological pH.
Proteins, 35, 1999
4THI
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BU of 4thi by Molmil
THIAMINASE I FROM BACILLUS THIAMINOLYTICUS WITH COVALENTLY BOUND 4-AMINO-2,5-DIMETHYLPYRIMIDINE
分子名称: 2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE, PROTEIN (THIAMINASE I), SULFATE ION
著者Campobasso, N, Begley, T.P, Ealick, S.E.
登録日1998-10-05
公開日1998-10-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of thiaminase-I from Bacillus thiaminolyticus at 2.0 A resolution.
Biochemistry, 37, 1998
4C2G
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BU of 4c2g by Molmil
Crystal structure of CtpB(S309A) in complex with a peptide having a Val-Pro-Ala C-terminus
分子名称: CARBOXY-TERMINAL PROCESSING PROTEASE CTPB, PEPTIDE1
著者Mastny, M, Heuck, A, Kurzbauer, R, Clausen, T.
登録日2013-08-17
公開日2013-12-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ctpb Assembles a Gated Protease Tunnel Regulating Cell-Cell Signaling During Spore Formation in Bacillus Subtilis.
Cell(Cambridge,Mass.), 155, 2013
2I7N
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BU of 2i7n by Molmil
Crystal structure of human PANK1 alpha: the catalytic core domain in complex with AcCoA
分子名称: ACETYL COENZYME *A, Pantothenate kinase 1
著者Hong, B.S, Wang, L, Tempel, W, Loppnau, P, Allali-Hassani, A, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H.W.
登録日2006-08-31
公開日2006-12-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of human pantothenate kinases. Insights into allosteric regulation and mutations linked to a neurodegeneration disorder.
J.Biol.Chem., 282, 2007
5MHT
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BU of 5mht by Molmil
TERNARY STRUCTURE OF HHAI METHYLTRANSFERASE WITH HEMIMETHYLATED DNA AND ADOHCY
分子名称: DNA (5'-D(*CP*CP*AP*TP*GP*(5CM)P*GP*CP*TP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*AP*GP*CP*GP*CP*AP*TP*GP*G)-3'), PROTEIN (HHAI METHYLTRANSFERASE), ...
著者Cheng, X.
登録日1996-10-22
公開日1997-07-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A structural basis for the preferential binding of hemimethylated DNA by HhaI DNA methyltransferase.
J.Mol.Biol., 263, 1996
7PA0
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BU of 7pa0 by Molmil
NaK C-DI F92A mutant with Rb+ and K+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ...
著者Minniberger, S, Plested, A.J.R.
登録日2021-07-28
公開日2022-08-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
4SLI
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BU of 4sli by Molmil
LEECH INTRAMOLECULAR TRANS-SIALIDASE COMPLEXED WITH 2-PROPENYL-NEU5AC, AN INACTIVE SUBSTRATE ANALOGUE
分子名称: 2-propenyl-N-acetyl-neuraminic acid, INTRAMOLECULAR TRANS-SIALIDASE
著者Luo, Y, Li, S.C, Li, Y.T, Luo, M.
登録日1998-10-04
公開日1999-05-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The 1.8 A structures of leech intramolecular trans-sialidase complexes: evidence of its enzymatic mechanism.
J.Mol.Biol., 285, 1999
2K9P
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BU of 2k9p by Molmil
Structure of TM1_TM2 in LPPG micelles
分子名称: Pheromone alpha factor receptor
著者Neumoin, N, Zerbe, O, Naider, F.
登録日2008-10-21
公開日2009-05-05
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Structure of a double transmembrane fragment of a G-protein-coupled receptor in micelles.
Biophys.J., 96, 2009
6IZM
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BU of 6izm by Molmil
Crystal structure of the PPARgamma-LBD complexed with compound 1l
分子名称: 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Peroxisome proliferator-activated receptor gamma
著者Matsui, Y, Hanzawa, H.
登録日2018-12-20
公開日2019-03-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Activity Relationship Studies of 3- or 4-Pyridine Derivatives of DS-6930.
Acs Med.Chem.Lett., 10, 2019
4RLA
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BU of 4rla by Molmil
ALTERING THE BINUCLEAR MANGANESE CLUSTER OF ARGINASE DIMINISHES THERMOSTABILITY AND CATALYTIC FUNCTION
分子名称: ARGINASE, MANGANESE (II) ION
著者Scolnick, L.R, Kanyo, Z.F, Christianson, D.W.
登録日1997-05-07
公開日1998-05-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Altering the binuclear manganese cluster of arginase diminishes thermostability and catalytic function.
Biochemistry, 36, 1997
4DEE
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BU of 4dee by Molmil
Aurora A in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, MAGNESIUM ION
著者Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
登録日2012-01-20
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development of o-Chlorophenyl Substituted Pyrimidines as Exceptionally Potent Aurora Kinase Inhibitors.
J.Med.Chem., 55, 2012
4TPI
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BU of 4tpi by Molmil
THE REFINED 2.2-ANGSTROMS (0.22-NM) X-RAY CRYSTAL STRUCTURE OF THE TERNARY COMPLEX FORMED BY BOVINE TRYPSINOGEN, VALINE-VALINE AND THE ARG15 ANALOGUE OF BOVINE PANCREATIC TRYPSIN INHIBITOR
分子名称: BOVINE PANCREATIC TRYPSIN INHIBITOR, CALCIUM ION, SULFATE ION, ...
著者Bode, W, Walter, J.
登録日1985-06-11
公開日1985-11-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The refined 2.2-A (0.22-nm) X-ray crystal structure of the ternary complex formed by bovine trypsinogen, valine-valine and the Arg15 analogue of bovine pancreatic trypsin inhibitor
Eur.J.Biochem., 144, 1984
2H2K
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BU of 2h2k by Molmil
Crystal Structure Analysis of Human S100A13
分子名称: CALCIUM ION, Protein S100-A13
著者Li, M, Zhang, P.F, Zhang, J.P, Chang, W.R.
登録日2006-05-19
公開日2007-05-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure study on human S100A13 at 2.0 A resolution
Biochem.Biophys.Res.Commun., 356, 2007
4TWZ
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BU of 4twz by Molmil
Crystal Structure Analysis of E Coli. RecA Protein
分子名称: MAGNESIUM ION, Protein RecA
著者Hikima, T, Hiraki, T, Furuse, M, Ikawa, S, Iwasaki, W, Shibata, T, Kamiya, N.
登録日2014-07-02
公開日2015-07-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Loop L1 governs the DNA-binding specificity and order for RecA-catalyzed reactions in homologous recombination and DNA repair
Nucleic Acids Res., 43, 2015
6HBW
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BU of 6hbw by Molmil
Crystal structure of deoxy-human hemoglobin beta6 glu->trp
分子名称: PROTEIN (HEMOGLOBIN ALPHA 1), PROTEIN (HEMOGLOBIN BETA), PROTOPORPHYRIN IX CONTAINING FE
著者Harrington, D.J, Adachi, K, Royer Jr, W.E.
登録日1998-09-10
公開日1998-09-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of deoxy-human hemoglobin beta6 Glu --> Trp. Implications for the structure and formation of the sickle cell fiber.
J.Biol.Chem., 273, 1998
4SKN
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BU of 4skn by Molmil
A NUCLEOTIDE-FLIPPING MECHANISM FROM THE STRUCTURE OF HUMAN URACIL-DNA GLYCOSYLASE BOUND TO DNA
分子名称: DNA (5'-D(*AP*AP*AP*GP*CP*CP*GP*CP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*GP*(D1P)P*GP*GP*CP*TP*T)-3'), PROTEIN (URACIL-DNA GLYCOSYLASE), ...
著者Slupphaug, G, Mol, C.D, Kavli, B, Arvai, A.S, Krokan, H.E, Tainer, J.A.
登録日1999-02-20
公開日1999-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A nucleotide-flipping mechanism from the structure of human uracil-DNA glycosylase bound to DNA.
Nature, 384, 1996
4C2F
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BU of 4c2f by Molmil
Crystal structure of the CtpB R168A mutant present in an active conformation
分子名称: CARBOXY-TERMINAL PROCESSING PROTEASE CTPB, PEPTIDE1, PEPTIDE2
著者Mastny, M, Heuck, A, Kurzbauer, R, Clausen, T.
登録日2013-08-17
公開日2013-12-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ctpb Assembles a Gated Protease Tunnel Regulating Cell-Cell Signaling During Spore Formation in Bacillus Subtilis.
Cell(Cambridge,Mass.), 155, 2013

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