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3X09
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Crystal structure of PIP4KIIBETA F205L complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
著者Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T.
登録日2014-10-09
公開日2015-10-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016
3WYE
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BU of 3wye by Molmil
Crystal Structure of chimeric engineered (2S,3S)-butanediol dehydrogenase complexed with NAD+
分子名称: Diacetyl reductase [(S)-acetoin forming],L-2,3-butanediol dehydrogenase,Diacetyl reductase [(S)-acetoin forming],L-2,3-butanediol dehydrogenase,Diacetyl reductase [(S)-acetoin forming],L-2,3-butanediol dehydrogenase,Diacetyl reductase [(S)-acetoin forming], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Shimegi, T, Oyama, T, Kusunoki, M, Ui, S.
登録日2014-08-26
公開日2015-08-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal Structure of chimeric engineered (2S,3S)-butanediol dehydrogenase complexed with NAD+
To be Published
5FVU
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BU of 5fvu by Molmil
Structure of human nNOS R354A G357D mutant heme domain in complex with 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl) pyridin-2-amine
分子名称: 1,2-ETHANEDIOL, 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
著者Li, H, Poulos, T.L.
登録日2016-02-10
公開日2016-04-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.224 Å)
主引用文献Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker.
J.Med.Chem., 59, 2016
5FMT
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BU of 5fmt by Molmil
CrIFT54 CH-domain
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, FLAGELLAR ASSOCIATED PROTEIN, GLYCEROL, ...
著者Weber, K, Lorentzen, E.
登録日2015-11-09
公開日2016-03-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.878 Å)
主引用文献Intraflagellar Transport Proteins 172, 80, 57, 54, 38, and 20 Form a Stable Tubulin-Binding Ift-B2 Complex.
Embo J., 35, 2016
5FPB
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BU of 5fpb by Molmil
Crystal structure of human KDM4D in complex with 2-1H-pyrazol-4-yloxy- 3H,4H-pyrido-3,4-d-pyrimidin-4-one
分子名称: 2-(1H-pyrazol-4-yloxy)-3H-pyrido[3,4-d]pyrimidin-4-one, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 4D, ...
著者Chung, C.
登録日2015-11-27
公開日2016-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
1XAN
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BU of 1xan by Molmil
HUMAN GLUTATHIONE REDUCTASE IN COMPLEX WITH A XANTHENE INHIBITOR
分子名称: 3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE
著者Savvides, S.N, Karplus, P.A.
登録日1996-01-26
公開日1996-07-11
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kinetics and crystallographic analysis of human glutathione reductase in complex with a xanthene inhibitor.
J.Biol.Chem., 271, 1996
5FVV
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BU of 5fvv by Molmil
Structure of human nNOS R354A G357D mutant heme domain in complex with 4-methyl-6-(2-(5-(1-methylpiperidin-4-yl)pyridin-3-yl)ethyl) pyridin-2-amine
分子名称: 4-methyl-6-(2-(5-(1-methylpiperidin-4-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, ...
著者Li, H, Poulos, T.L.
登録日2016-02-10
公開日2016-04-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker.
J.Med.Chem., 59, 2016
1XRB
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BU of 1xrb by Molmil
S-adenosylmethionine synthetase (MAT, ATP: L-methionine S-adenosyltransferase, E.C.2.5.1.6) in which MET residues are replaced with selenomethionine residues (MSE)
分子名称: MAGNESIUM ION, PHOSPHATE ION, POTASSIUM ION, ...
著者Takusagawa, F, Kamitori, S, Misaki, S, Markham, G.D.
登録日1995-10-26
公開日1996-03-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of S-adenosylmethionine synthetase.
J.Biol.Chem., 271, 1996
5CLP
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BU of 5clp by Molmil
Crystal Structure of CK2alpha with 3,4-dichlorophenethylamine bound
分子名称: 2-(3,4-dichlorophenyl)ethanamine, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-16
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.684 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
1XTC
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BU of 1xtc by Molmil
CHOLERA TOXIN
分子名称: CHOLERA TOXIN
著者Zhang, R.-G, Westbrook, E.
登録日1996-01-10
公開日1996-08-01
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The three-dimensional crystal structure of cholera toxin.
J.Mol.Biol., 251, 1995
1XGA
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BU of 1xga by Molmil
ALPHA CONOTOXIN GI: 2-7;3-13 (NATIVE) DISULFIDE BOND ISOMER, NMR, 35 STRUCTURES
分子名称: ALPHA-CONOTOXIN GI
著者Gehrmann, J, Alewood, P.F, Craik, D.J.
登録日1998-01-18
公開日1999-02-16
最終更新日2024-06-05
実験手法SOLUTION NMR
主引用文献Structure determination of the three disulfide bond isomers of alpha-conotoxin GI: a model for the role of disulfide bonds in structural stability.
J.Mol.Biol., 278, 1998
3X04
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BU of 3x04 by Molmil
Crystal structure of PIP4KIIBETA complex with GMPPNP
分子名称: PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
著者Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T.
登録日2014-10-09
公開日2015-10-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016
1Y1N
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BU of 1y1n by Molmil
Identification of SH3 motif in M. Tuberculosis methionine aminopeptidase suggests a mode of interaction with the ribosome
分子名称: Methionine aminopeptidase 1B, POTASSIUM ION
著者Addlagatta, A, Quillin, M.L, Omotoso, O, Liu, J.O, Matthews, B.W.
登録日2004-11-18
公開日2005-05-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Identification of an SH3-Binding Motif in a New Class of Methionine Aminopeptidases from Mycobacterium tuberculosis Suggests a Mode of Interaction with the Ribosome
Biochemistry, 44, 2005
5T26
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BU of 5t26 by Molmil
Kinetic, Spectral and Structural Characterization of the Slow Binding Inhibitor Acetopyruvate with Dihydrodipicolinate Synthase from Escherichia coli.
分子名称: 4-hydroxy-tetrahydrodipicolinate synthase, GLYCEROL, L(+)-TARTARIC ACID, ...
著者Chooback, L, Thomas, L.M, Karsten, W.E, Fleming, C.D, Seabourn, P.
登録日2016-08-23
公開日2016-10-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Kinetic, Spectral and Structural Characterization of the Slow Binding Inhibitor Acetopyruvate with Dihydrodipicolinate Synthase from Escherichia coli.
To Be Published
5G1F
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BU of 5g1f by Molmil
Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW)from Bacillus subtilis in complex with coenzyme A
分子名称: 6-CARBOXYHEXANOATE-COA LIGASE, COENZYME A, NONAETHYLENE GLYCOL, ...
著者Moynie, L, Wang, M, Campopiano, D.J, Naismith, J.H.
登録日2016-03-25
公開日2017-03-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The Structure of the 6-Carboxyhexanoate-Coa Ligase from Bacillus Subtilis
To be Published
5CNT
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BU of 5cnt by Molmil
Crystal structure of the dATP inhibited E. coli class Ia ribonucleotide reductase complex bound to UDP and dATP at 3.25 Angstroms resolution
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION, MU-OXO-DIIRON, ...
著者Chen, P.Y.-T, Zimanyi, C.M, Funk, M.A, Drennan, C.L.
登録日2015-07-18
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Molecular basis for allosteric specificity regulation in class Ia ribonucleotide reductase from Escherichia coli.
Elife, 5, 2016
5G38
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BU of 5g38 by Molmil
PsbO subunit of Photosystem II, beta barrel domain at 100K, pH 6
分子名称: CALCIUM ION, PHOTOSYSTEM II MANGANESE-STABILIZING POLYPEPTIDE
著者Bommer, M, Bondar, A.N, Zouni, A, Dobbek, H, Dau, H.
登録日2016-04-24
公開日2016-08-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Crystallographic and Computational Analysis of the Barrel Part of the Psbo Protein of Photosystem II -Carboxylate-Water Clusters as Putative Proton Transfer Relays and Structural Switches
Biochemistry, 55, 2016
5T4F
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BU of 5t4f by Molmil
Human DPP4 in complex with ligand 34p
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, 4-({2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5H-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile, ...
著者Scapin, G.
登録日2016-08-29
公開日2016-10-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Scaffold-hopping from xanthines to tricyclic guanines: A case study of dipeptidyl peptidase 4 (DPP4) inhibitors.
Bioorg.Med.Chem., 24, 2016
1Y14
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BU of 1y14 by Molmil
Crystal structure of yeast subcomplex of Rpb4 and Rpb7
分子名称: DNA-directed RNA polymerase II 19 kDa polypeptide, DNA-directed RNA polymerase II 32 kDa polypeptide
著者Armache, K.-J, Mitterweger, S, Meinhart, A, Cramer, P.
登録日2004-11-17
公開日2004-12-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of Complete RNA Polymerase II and Its Subcomplex, Rpb4/7
J.Biol.Chem., 280, 2005
5T65
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LIGAND BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA PAO1 AMINO ACID CHEMORECEPTOR PCTA IN COMPLEX WITH L-ILE
分子名称: ACETATE ION, ISOLEUCINE, Methyl-accepting chemotaxis protein PctA, ...
著者Gavira, J.A, Rico-Jimenez, M, Ortega, A, Conejero-Muriel, M, Zhulin, I, Krell, T.
登録日2016-09-01
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献How Bacterial Chemoreceptors Evolve Novel Ligand Specificities
Mbio, 2020
2AVS
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BU of 2avs by Molmil
kinetics, stability, and structural changes in high resolution crystal structures of HIV-1 protease with drug resistant mutations L24I, I50V, and G73S
分子名称: ACETIC ACID, DIMETHYL SULFOXIDE, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, ...
著者Liu, F, Boross, P.I, Wang, Y.F, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T.
登録日2005-08-30
公開日2006-01-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S.
J.Mol.Biol., 354, 2005
5G53
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Structure of the adenosine A2A receptor bound to an engineered G protein
分子名称: ADENOSINE RECEPTOR A2A, ENGINEERED DOMAIN OF HUMAN G ALPHA S LONG ISOFORM, GUANOSINE-5'-DIPHOSPHATE, ...
著者Carpenter, B, Nehme, R, Warne, T, Leslie, A.G.W, Tate, C.G.
登録日2016-05-19
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure of the Adenosine A2A Receptor Bound to an Engineered G Protein
Nature, 536, 2016
5VAN
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BU of 5van by Molmil
Crystal Structure of Beta-Klotho
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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Lee, S, Schlessinger, J.
登録日2017-03-27
公開日2018-01-31
最終更新日2021-03-24
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Structures of beta-klotho reveal a 'zip code'-like mechanism for endocrine FGF signalling.
Nature, 553, 2018
5G6J
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Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-((3-(2-(Methylamino)ethyl)phenoxy)methyl)quinolin-2- amine
分子名称: 7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Holden, J.K, Poulos, T.L.
登録日2016-06-18
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.
Biochemistry, 55, 2016
5UTU
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2.65 Angstrom Resolution Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with SAH and NAD
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ADENOSINE, Adenosylhomocysteinase, ...
著者Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Stam, J, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-02-15
公開日2017-03-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献2.65 Angstrom Resolution Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with SAH and NAD
To Be Published

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