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5IVS
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BU of 5ivs by Molmil
Crystal Structure of HIV Protease complexed with methyl N-[(1S)-1-benzhydryl-2-[2-[2-[(2R,5S)-5-(benzylcarbamoyloxymethyl)morpholin-2-yl]ethyl]anilino]-2-oxo-ethyl]carbamate
分子名称: CHLORIDE ION, N-(2-{2-[(2R,5S)-5-{[(benzylcarbamoyl)oxy]methyl}morpholin-2-yl]ethyl}phenyl)-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide, Protease
著者Su, H.P.
登録日2016-03-21
公開日2016-05-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Discovery of MK-8718, an HIV Protease Inhibitor Containing a Novel Morpholine Aspartate Binding Group.
Acs Med.Chem.Lett., 7, 2016
5J1G
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BU of 5j1g by Molmil
Structure of the spectrin repeats 7 and 8 of the plakin domain of plectin
分子名称: 1,2-ETHANEDIOL, PENTAETHYLENE GLYCOL, Plectin
著者Ortega, E, DE PEREDA, J.M.
登録日2016-03-29
公開日2016-07-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Structure of the Plakin Domain of Plectin Reveals an Extended Rod-like Shape.
J.Biol.Chem., 291, 2016
5L2Q
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BU of 5l2q by Molmil
Serine/threonine-protein kinase 40 (STK40) kinase homology domain
分子名称: Serine/threonine-protein kinase 40
著者Durzynska, I, Uljon, S, Blacklow, S.C.
登録日2016-08-02
公開日2017-02-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献STK40 Is a Pseudokinase that Binds the E3 Ubiquitin Ligase COP1.
Structure, 25, 2017
2O0U
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BU of 2o0u by Molmil
Crystal structure of human JNK3 complexed with N-{3-cyano-6-[3-(1-piperidinyl)propanoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl}-1-naphthalenecarboxamide
分子名称: Mitogen-activated protein kinase 10, N-{3-CYANO-6-[3-(1-PIPERIDINYL)PROPANOYL]-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDIN-2-YL}1-NAPHTHALENECARBOXAMIDE
著者Rowland, P, Somers, D.
登録日2006-11-28
公開日2007-02-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amides as potent, selective, inhibitors of JNK2 and JNK3.
Bioorg.Med.Chem.Lett., 17, 2007
2O88
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BU of 2o88 by Molmil
Crystal structure of the N114A mutant of ABL-SH3 domain complexed with a designed high-affinity peptide ligand: implications for SH3-ligand interactions
分子名称: P41 peptide, Proto-oncogene tyrosine-protein kinase ABL1, SULFATE ION
著者Camara-Artigas, A.
登録日2006-12-12
公開日2007-05-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystallization by capillary counter-diffusion and structure determination of the N114A mutant of the SH3 domain of Abl tyrosine kinase complexed with a high-affinity peptide ligand.
Acta Crystallogr.,Sect.D, 63, 2007
4ER4
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BU of 4er4 by Molmil
HIGH-RESOLUTION X-RAY ANALYSES OF RENIN INHIBITOR-ASPARTIC PROTEINASE COMPLEXES
分子名称: ENDOTHIAPEPSIN, H-142
著者Foundling, S.I, Watson, F.E, Szelke, M, Blundell, T.L.
登録日1991-01-05
公開日1991-04-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献High resolution X-ray analyses of renin inhibitor-aspartic proteinase complexes.
Nature, 327, 1987
2NSE
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BU of 2nse by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE SUBSTRATE COMPLEX
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, CACODYLATE ION, ...
著者Raman, C.S, Li, H, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L.
登録日1998-08-13
公開日1999-05-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Crystal structure of constitutive endothelial nitric oxide synthase: a paradigm for pterin function involving a novel metal center.
Cell(Cambridge,Mass.), 95, 1998
5KJN
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BU of 5kjn by Molmil
SMYD2 in complex with AZ506
分子名称: (R,R)-2,3-BUTANEDIOL, 5-[2-[4-[2-(1~{H}-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide, N-lysine methyltransferase SMYD2, ...
著者Ferguson, A.
登録日2016-06-20
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
5KKW
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BU of 5kkw by Molmil
Crystal structure of SAR11_1068 bound to a sulfobetaine (3-(1-methylpiperidinium-1-yl)propane-1-sulfonate)
分子名称: 3-(1-methylpiperidinium-1-yl)propane-1-sulfonate, Cyclohexadienyl dehydratase, SULFATE ION
著者Clifton, B.E, Carr, P.D, Jackson, C.J.
登録日2016-06-22
公開日2017-07-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structure of SAR11_1068 bound to a sulfobetaine (3-(1-methylpiperidinium-1-yl)propane-1-sulfonate)
To Be Published
2NYA
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BU of 2nya by Molmil
Crystal structure of the periplasmic nitrate reductase (NAP) from Escherichia coli
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, MOLYBDENUM(VI) ION, ...
著者Jepson, B.J.N, Richardson, D.J, Hemmings, A.M.
登録日2006-11-20
公開日2006-12-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Spectropotentiometric and structural analysis of the periplasmic nitrate reductase from Escherichia coli
J.Biol.Chem., 282, 2007
5JBQ
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BU of 5jbq by Molmil
EF-TU (ESCHERICHIA COLI) IN COMPLEX WITH THIOMURACIN ANALOG
分子名称: Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Palestrant, D, Stams, T.
登録日2016-04-13
公開日2016-07-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.006 Å)
主引用文献Antibacterial and Solubility Optimization of Thiomuracin A.
J.Med.Chem., 59, 2016
4ER1
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BU of 4er1 by Molmil
THE ACTIVE SITE OF ASPARTIC PROTEINASES
分子名称: ENDOTHIAPEPSIN, N-[(1R,2R,4R)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2R)-2-methylbutyl]carbamoyl}heptyl]-3-(1H-imidazol-3-ium-4-yl)-N~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-L-alaninamide
著者Quail, J.W, Cooper, J.B, Szelke, M, Blundell, T.L.
登録日1990-10-14
公開日1991-01-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The active site of aspartic proteinases
FEBS Lett., 174, 1984
5IUM
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BU of 5ium by Molmil
Crystal structure of phosphorylated DesKC
分子名称: GLYCEROL, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Trajtenberg, F, Buschiazzo, A.
登録日2016-03-18
公開日2016-12-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.162 Å)
主引用文献Regulation of signaling directionality revealed by 3D snapshots of a kinase:regulator complex in action.
Elife, 5, 2016
5J1F
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BU of 5j1f by Molmil
Structure of the spectrin repeats 5 and 6 of the plakin domain of plectin
分子名称: Plectin,Plectin
著者Ortega, E, DE PEREDA, J.M.
登録日2016-03-29
公開日2016-07-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Structure of the Plakin Domain of Plectin Reveals an Extended Rod-like Shape.
J.Biol.Chem., 291, 2016
5I5U
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BU of 5i5u by Molmil
X-RAY CRYSTAL STRUCTURE AT 2.40A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TETRAHYDRONAPHTHALENYL COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
分子名称: 1,2-ETHANEDIOL, 2-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide, Branched-chain-amino-acid aminotransferase, ...
著者Somers, D.O.
登録日2016-02-15
公開日2016-03-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.404 Å)
主引用文献Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening.
J.Med.Chem., 59, 2016
2P4K
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BU of 2p4k by Molmil
Contribution to Structure and Catalysis of Tyrosine 34 in Human Manganese Superoxide Dismutase
分子名称: MANGANESE (II) ION, Superoxide dismutase
著者Perry, J.J.
登録日2007-03-12
公開日2007-04-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Contribution of human manganese superoxide dismutase tyrosine 34 to structure and catalysis.
Biochemistry, 48, 2009
5I8U
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BU of 5i8u by Molmil
Crystal Structure of the RV1700 (MT ADPRASE) E142Q mutant
分子名称: ADP-ribose pyrophosphatase, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
著者Thirawatananond, P, Kang, L.-W, Amzel, L.M, Gabelli, S.B.
登録日2016-02-19
公開日2016-10-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kinetic and mutational studies of the adenosine diphosphate ribose hydrolase from Mycobacterium tuberculosis.
J. Bioenerg. Biomembr., 48, 2016
5IDI
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BU of 5idi by Molmil
Structure of beta glucosidase 1A from Thermotoga neapolitana, mutant E349A
分子名称: 1,4-beta-D-glucan glucohydrolase, ACETATE ION
著者Kulkarni, T, Nordberg Karlsson, E, Logan, D.T.
登録日2016-02-24
公開日2017-02-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of beta-glucosidase 1A from Thermotoga neapolitana and comparison of active site mutants for hydrolysis of flavonoid glucosides.
Proteins, 85, 2017
2P55
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BU of 2p55 by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP
分子名称: 2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Ohren, J.F, Pavlovsky, A.G.
登録日2007-03-14
公開日2007-10-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献4-anilino-5-carboxamido-2-pyridone derivatives as noncompetitive inhibitors of mitogen-activated protein kinase kinase.
J.Med.Chem., 50, 2007
2PET
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BU of 2pet by Molmil
Lutheran glycoprotein, N-terminal domains 1 and 2.
分子名称: Lutheran blood group glycoprotein
著者Burton, N, Brady, R.L.
登録日2007-04-03
公開日2007-12-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Laminin 511/521-binding site on the Lutheran blood group glycoprotein is located at the flexible junction of Ig domains 2 and 3.
Blood, 110, 2007
2PF6
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BU of 2pf6 by Molmil
Lutheran glycoprotein, N-terminal domains 1 and 2
分子名称: Lutheran blood group glycoprotein
著者Burton, N, Brady, R.L.
登録日2007-04-04
公開日2007-12-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Laminin 511/521-binding site on the Lutheran blood group glycoprotein is located at the flexible junction of Ig domains 2 and 3.
Blood, 110, 2007
5KMZ
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BU of 5kmz by Molmil
Solution NMR structure of Tetrahymena telomerase RNA pseudoknot
分子名称: Telomerase RNA pseudoknot
著者Cash, D.D, Feigon, J.
登録日2016-06-27
公開日2016-10-12
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of Tetrahymena telomerase reveals previously unknown subunits, functions, and interactions.
Science, 350, 2015
5KYV
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BU of 5kyv by Molmil
Structure of Photinus pyralis Luciferase green shifted light emitting variant
分子名称: 5'-O-[N-(DEHYDROLUCIFERYL)-SULFAMOYL] ADENOSINE, L(+)-TARTARIC ACID, Luciferin 4-monooxygenase
著者Gulick, A.M.
登録日2016-07-22
公開日2016-12-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Cloning of the Orange Light-Producing Luciferase from Photinus scintillans Provides Insight into Bioluminescence Color Determination
To Be Published
5IHP
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BU of 5ihp by Molmil
Crystal Structure of Cobyrinic Acid a,c-diamide synthase from Mycobacterium smegmatis with bound ADP and Magnesium
分子名称: ADENOSINE-5'-DIPHOSPHATE, Cobyrinic Acid a,c-diamide synthase, MAGNESIUM ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-02-29
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of Cobyrinic Acid a,c-diamide synthase from Mycobacterium smegmatis with bound ATP analog and Magnesium
TO BE PUBLISHED
5II1
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BU of 5ii1 by Molmil
Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 1-methylisochromeno[3,4-c]pyrazol-5(3H)-one
分子名称: 1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1
著者Filippakopoulos, P, Picaud, S, Felletar, I, Myrianthopoulos, V, Mikros, E, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-03-01
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016

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