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3RWP
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BU of 3rwp by Molmil
Discovery of a Novel, Potent and Selective Inhibitor of 3-Phosphoinositide Dependent Kinase (PDK1)
分子名称: 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ...
著者Greasley, S.E, Hickey, M, Ferre, R.-A, Krauss, M, Cronin, C.
登録日2011-05-09
公開日2011-11-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Discovery of Novel, Potent, and Selective Inhibitors of 3-Phosphoinositide-Dependent Kinase (PDK1).
J.Med.Chem., 54, 2011
2WK8
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BU of 2wk8 by Molmil
Structure of holo form of Vibrio cholerae CqsA
分子名称: CAI-1 AUTOINDUCER SYNTHASE, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Jahan, N, Potter, J.A, Sheikh, M.A, Botting, C.H, Shirran, S.L, Westwood, N.J, Taylor, G.L.
登録日2009-06-08
公開日2009-07-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Insights Into the Biosynthesis of the Vibrio Cholerae Major Autoinducer Cai-1 from the Crystal Structure of the Plp-Dependent Enzyme Cqsa.
J.Mol.Biol., 392, 2009
3UZU
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BU of 3uzu by Molmil
The structure of the Ribosomal RNA small subunit methyltransferase A from Burkholderia pseudomallei
分子名称: 1,2-ETHANEDIOL, Ribosomal RNA small subunit methyltransferase A
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-12-07
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The structure of the Ribosomal RNA small subunit methyltransferase A from Burkholderia pseudomallei
TO BE PUBLISHED
4CLL
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BU of 4cll by Molmil
Crystal structure of human soluble Adenylyl Cyclase in complex with bicarbonate
分子名称: 1,2-ETHANEDIOL, ADENYLATE CYCLASE TYPE 10, BICARBONATE ION, ...
著者Kleinboelting, S, Weyand, M, Steegborn, C.
登録日2014-01-15
公開日2014-03-05
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate.
Proc.Natl.Acad.Sci.USA, 111, 2014
2WU7
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BU of 2wu7 by Molmil
Crystal Structure of the Human CLK3 in complex with V25
分子名称: CHLORIDE ION, DUAL SPECIFICITY PROTEIN KINASE CLK3, SULFATE ION, ...
著者Muniz, J.R.C, Fedorov, O, King, O, Filippakopoulos, P, Bullock, A.N, Phillips, C, Heightman, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Bracher, F, Huber, K, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S.
登録日2009-09-30
公開日2009-10-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Specific Clk Inhibitors from a Novel Chemotype for Regulation of Alternative Splicing.
Chem.Biol, 18, 2011
3B05
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BU of 3b05 by Molmil
Crystal structure of Sulfolobus shibatae isopentenyl diphosphate isomerase in complex with reduced FMN and IPP at 2.2A resolution.
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Isopentenyl-diphosphate delta-isomerase, ...
著者Unno, H, Nagai, T, Hemmi, H.
登録日2011-06-03
公開日2011-11-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Covalent modification of reduced flavin mononucleotide in type-2 isopentenyl diphosphate isomerase by active-site-directed inhibitors.
Proc.Natl.Acad.Sci.USA, 108, 2011
1AY7
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BU of 1ay7 by Molmil
RIBONUCLEASE SA COMPLEX WITH BARSTAR
分子名称: BARSTAR, GUANYL-SPECIFIC RIBONUCLEASE SA
著者Sevcik, J, Urbanikova, L, Dauter, Z, Wilson, K.S.
登録日1997-11-14
公開日1999-03-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Recognition of RNase Sa by the inhibitor barstar: structure of the complex at 1.7 A resolution.
Acta Crystallogr.,Sect.D, 54, 1998
6HVT
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BU of 6hvt by Molmil
Yeast 20S proteasome with human beta2i (1-53) in complex with 20
分子名称: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
著者Huber, E.M, Groll, M.
登録日2018-10-11
公開日2019-01-30
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
2WYH
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BU of 2wyh by Molmil
Structure of the Streptococcus pyogenes family GH38 alpha-mannosidase
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ALPHA-MANNOSIDASE, GLYCEROL, ...
著者Suits, M.D.L, Zhu, Y, Taylor, E.J, Zechel, D.L, Gilbert, H.J, Davies, G.J.
登録日2009-11-16
公開日2010-02-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and Kinetic Investigation of Streptococcus Pyogenes Family Gh38 Alpha-Mannosidase
Plos One, 5, 2010
6HVU
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BU of 6hvu by Molmil
Yeast 20S proteasome with human beta2i (1-53) in complex with 29
分子名称: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
著者Huber, E.M, Groll, M.
登録日2018-10-11
公開日2019-01-30
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
3K3K
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BU of 3k3k by Molmil
Crystal structure of dimeric abscisic acid (ABA) receptor pyrabactin resistance 1 (PYR1) with ABA-bound closed-lid and ABA-free open-lid subunits
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYR1
著者Arvai, A.S, Hitomi, K, Getzoff, E.D.
登録日2009-10-02
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural mechanism of abscisic acid binding and signaling by dimeric PYR1.
Science, 326, 2009
5YKP
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BU of 5ykp by Molmil
Human methionine aminopeptidase type 1b (F309M mutant) in complex with ovalicin
分子名称: 3,4-DIHYDROXY-2-METHOXY-4-METHYL-3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -OXIRANYL]-CYCLOHEXANONE, COBALT (II) ION, Methionine aminopeptidase 1, ...
著者Arya, T, Pillalamarri, V, Addlagatta, A.
登録日2017-10-15
公開日2018-10-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Discovery of natural product ovalicin sensitive type 1 methionine aminopeptidases: molecular and structural basis.
Biochem. J., 476, 2019
4L5F
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BU of 4l5f by Molmil
Crystal Structure of DENV1-E106 Fab bound to DENV-1 Envelope protein DIII
分子名称: Envelope protein, Heavy chain of E106 antibody (VH and CH1 of IgG2c), Light chain of E106 antibody (kappa)
著者Edeling, M.A, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-06-11
公開日2013-12-11
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of DENV1-E106 Fab bound to DENV-1 Envelope protein DIII
To be Published
5EJ9
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BU of 5ej9 by Molmil
EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 2 min and isochorismate for 13 min
分子名称: 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, FORMIC ACID, GLYCEROL, ...
著者Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H.
登録日2015-11-01
公開日2016-06-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis
J.Am.Chem.Soc., 138, 2016
4F6O
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BU of 4f6o by Molmil
Crystal structure of the yeast metacaspase Yca1
分子名称: 1,1-diphenylethanol, Metacaspase-1
著者Wong, A.H, Yan, C.Y, Shi, Y.G.
登録日2012-05-15
公開日2012-07-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.681 Å)
主引用文献Crystal structure of the yeast metacaspase Yca1.
J.Biol.Chem., 287, 2012
4CJT
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BU of 4cjt by Molmil
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
分子名称: 1,2-benzoxazol-3-amine, ACETATE ION, GLYCEROL, ...
著者Peat, T.S.
登録日2013-12-23
公開日2014-01-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
5YPD
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BU of 5ypd by Molmil
Mycobacterium Tuberculosis Methionine aminopeptidase type 1c (C105N mutant) in complex with Methionine
分子名称: CHLORIDE ION, COBALT (II) ION, GLYCEROL, ...
著者Sandeep, C.B, Addlagatta, A.
登録日2017-11-01
公開日2018-11-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery of a new class of type 1 methionine aminopeptidases that have relaxed substrate specificity.
Int.J.Biol.Macromol., 129, 2019
4NUA
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BU of 4nua by Molmil
The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates
分子名称: 1,2-ETHANEDIOL, 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, ...
著者Tsoumpra, M.K, Barnett, B.L, Muniz, J.R.C, Walter, R.L, Ebetino, F.H, von Delft, F, Russell, R.G.G, Oppermann, U, Dunford, J.E.
登録日2013-12-03
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates
To be Published
5VI4
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BU of 5vi4 by Molmil
IL-33/ST2/IL-1RAcP ternary complex structure
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-1 receptor accessory protein, Interleukin-1 receptor-like 1, ...
著者Guenther, S, Sundberg, E.J.
登録日2017-04-13
公開日2017-09-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.792 Å)
主引用文献IL-1 Family Cytokines Use Distinct Molecular Mechanisms to Signal through Their Shared Co-receptor.
Immunity, 47, 2017
2PTZ
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BU of 2ptz by Molmil
Crystal Structure of the T. brucei enolase complexed with phosphonoacetohydroxamate (PAH), His156-out conformation
分子名称: 1,2-ETHANEDIOL, Enolase, PHOSPHONOACETOHYDROXAMIC ACID, ...
著者Navarro, M.V.A.S, Rigden, D.J, Garratt, R.C, Dias, S.M.G.
登録日2007-05-08
公開日2007-11-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics.
Febs J., 274, 2007
5EFO
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BU of 5efo by Molmil
X-ray structure uridine phosphorylase from Vibrio cholerae in complex with cytidine and cytosine at 1.63A.
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ...
著者Prokofev, I.I, Lashkov, A.A, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M.
登録日2015-10-24
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献X-ray structure uridine phosphorylase from Vibrio cholerae in complex with uridine at 2.24 A resolution
To Be Published
4B5S
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BU of 4b5s by Molmil
Crystal structures of divalent metal dependent pyruvate aldolase, HpaI, in complex with pyruvate
分子名称: 4-HYDROXY-2-OXO-HEPTANE-1,7-DIOATE ALDOLASE, COBALT (II) ION, D-Glyceraldehyde, ...
著者Coincon, M, Wang, W, Seah, S.Y.K, Sygusch, J.
登録日2012-08-07
公開日2012-08-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal Structure of Reaction Intermediates in Pyruvate Class II Aldolase: Substrate Cleavage, Enolate Stabilization and Substrate Specificity
J.Biol.Chem., 287, 2012
3WY1
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BU of 3wy1 by Molmil
Crystal structure of alpha-glucosidase
分子名称: (3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid, Alpha-glucosidase, GLYCEROL, ...
著者Shen, X, Gai, Z, Kato, K, Yao, M.
登録日2014-08-18
公開日2015-06-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural analysis of the alpha-glucosidase HaG provides new insights into substrate specificity and catalytic mechanism
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
3W33
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EGFR kinase domain complexed with compound 19b
分子名称: 4-{[4-(1-benzothiophen-4-yloxy)-3-chlorophenyl]amino}-N-(2-hydroxyethyl)-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide, Epidermal growth factor receptor, SULFATE ION
著者Sogabe, S, Kawakita, Y.
登録日2012-12-07
公開日2013-03-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors
Bioorg.Med.Chem., 21, 2013
2NS6
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BU of 2ns6 by Molmil
Crystal Structure of the Minimal Relaxase Domain of MobA from Plasmid R1162
分子名称: MANGANESE (II) ION, Mobilization protein A
著者Monzingo, A.F, Ozburn, A, Xia, S, Meyer, R.J, Robertus, J.D.
登録日2006-11-03
公開日2007-02-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Structure of the Minimal Relaxase Domain of MobA at 2.1 A Resolution.
J.Mol.Biol., 366, 2007

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