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4GV1
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BU of 4gv1 by Molmil
PKB alpha in complex with AZD5363
分子名称: 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide, GLYCEROL, RAC-alpha serine/threonine-protein kinase
著者Addie, M, Ballard, P, Bird, G, Buttar, D, Currie, G, Davies, B, Debreczeni, J, Dry, H, Dudley, P, Greenwood, R, Hatter, G, Jestel, A, Johnson, P.D, Kettle, J.G, Lane, C, Lamont, G, Leach, A, Luke, R.W.A, Ogilvie, D, Page, K, Pass, M, Steinbacher, S, Steuber, H, Pearson, S, Ruston, L.
登録日2012-08-30
公開日2013-02-27
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Discovery of 4-Amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an Orally Bioavailable, Potent Inhibitor of Akt Kinases.
J.Med.Chem., 56, 2013
6IVR
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BU of 6ivr by Molmil
Crystal structure of a membrane protein W16A
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
著者Kittredge, A, Fukuda, F, Zhang, Y, Yang, T.
登録日2018-12-04
公開日2019-11-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
2IOA
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BU of 2ioa by Molmil
E. coli Bifunctional glutathionylspermidine synthetase/amidase Incomplex with Mg2+ and ADP and phosphinate inhibitor
分子名称: ADENOSINE-5'-DIPHOSPHATE, Bifunctional glutathionylspermidine synthetase/amidase, D-GAMMA-GLUTAMYL-N-{[(R)-{4-[(4-AMINOBUTYL)AMINO]BUTYL}(PHOSPHONOOXY)PHOSPHORYL]METHYL}-D-ALANINAMIDE, ...
著者Pai, C.H, Chiang, B.Y, Ko, T.P, Chou, C.C, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H.
登録日2006-10-10
公開日2006-12-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
Embo J., 25, 2006
2IO9
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BU of 2io9 by Molmil
E. coli Bifunctional glutathionylspermidine synthetase/amidase Incomplex with Mg2+ ,GSH and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Bifunctional glutathionylspermidine synthetase/amidase, GLUTATHIONE, ...
著者Pai, C.H, Chiang, B.Y, Ko, T.P, Chou, C.C, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H.
登録日2006-10-10
公開日2006-12-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
Embo J., 25, 2006
2G7Q
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BU of 2g7q by Molmil
Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors
分子名称: Botulinum neurotoxin type A, N-HYDROXY-L-ARGININAMIDE, ZINC ION
著者Fu, Z, Baldwin, M.R, Boldt, G.E, Janda, K.D, Barbieri, J.T, Kim, J.-J.P.
登録日2006-02-28
公開日2006-08-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Light chain of botulinum neurotoxin serotype A: structural resolution of a catalytic intermediate.
Biochemistry, 45, 2006
4KXL
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BU of 4kxl by Molmil
Crystal structure of DNPH1 (RCL) with 6-CYCLOPENTYL-AMP
分子名称: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1, N-cyclopentyladenosine 5'-(dihydrogen phosphate), SULFATE ION
著者Padilla, A, Labesse, G, Kaminski, P.A.
登録日2013-05-27
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献N (6)-substituted AMPs inhibit mammalian deoxynucleotide N-hydrolase DNPH1.
Plos One, 8, 2013
4GNI
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BU of 4gni by Molmil
Structure of the Ssz1 ATPase bound to ATP and Magnesium
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Putative heat shock protein
著者Bange, G, Sinning, I.
登録日2012-08-17
公開日2012-12-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Structural characterization of a eukaryotic chaperone-the ribosome-associated complex.
Nat.Struct.Mol.Biol., 20, 2013
2IOB
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BU of 2iob by Molmil
E. coli Bifunctional glutathionylspermidine synthetase/amidase Apo protein
分子名称: Bifunctional glutathionylspermidine synthetase/amidase
著者Pai, C.H, Chiang, B.Y, Ko, T.P, Chou, C.C, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H.
登録日2006-10-10
公開日2006-12-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
Embo J., 25, 2006
2IO7
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BU of 2io7 by Molmil
E. coli Bifunctional glutathionylspermidine synthetase/amidase Incomplex with Mg2+ and AMPPNP
分子名称: Bifunctional glutathionylspermidine synthetase/amidase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Pai, C.H, Chiang, B.Y, Ko, T.P, Chong, C.M, Yen, F.J, Coward, J.K, Wang, A.H.-J, Lin, C.H.
登録日2006-10-10
公開日2006-12-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
Embo J., 25, 2006
6EEL
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BU of 6eel by Molmil
Crystal Structure of Myoferlin C2A with divalent cation
分子名称: Myoferlin, STRONTIUM ION
著者Sutton, R.B, Harsini, F.M, Rice, A.M.
登録日2018-08-14
公開日2019-05-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural Basis for the Distinct Membrane Binding Activity of the Homologous C2A Domains of Myoferlin and Dysferlin.
J.Mol.Biol., 431, 2019
4KXN
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BU of 4kxn by Molmil
Crystal structure of DNPH1 (RCL) with kinetine riboside monophosphate
分子名称: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1, N-(furan-2-ylmethyl)adenosine 5'-(dihydrogen phosphate)
著者Padilla, A, Labesse, G, Kaminski, P.A.
登録日2013-05-27
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献N (6)-substituted AMPs inhibit mammalian deoxynucleotide N-hydrolase DNPH1.
Plos One, 8, 2013
3RG6
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BU of 3rg6 by Molmil
Crystal structure of a chaperone-bound assembly intermediate of form I Rubisco
分子名称: RbcX protein, Ribulose bisphosphate carboxylase large chain
著者Bracher, A, Starling-Windhof, A, Hartl, F.U, Hayer-Hartl, M.
登録日2011-04-07
公開日2011-07-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of a chaperone-bound assembly intermediate of form I Rubisco.
Nat.Struct.Mol.Biol., 18, 2011
6DCV
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BU of 6dcv by Molmil
Crystal structure of human anti-tau antibody CBTAU-27.1
分子名称: GLYCEROL, Light chain of CBTAU27.1 Fab, heavy chain of CBTAU-27.1 Fab
著者Zhu, X, Zhang, H, Wilson, I.A.
登録日2018-05-08
公開日2018-06-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018
5ZV3
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BU of 5zv3 by Molmil
Crystal structure of human anti-tau antibody CBTAU-28.1 in complex with its tau peptide
分子名称: Heavy chain of antibody CBTAU28.1, Light chain (kappa) of antibody CBTAU28.1, Peptide from Microtubule-associated protein tau
著者Zhang, H, Wilson, I.A.
登録日2018-05-09
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018
6E4A
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BU of 6e4a by Molmil
Crystal structure of human BRD4(1) in complex with CN750
分子名称: 5-(4-{[(3-chlorophenyl)methyl]amino}-2-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}quinazolin-6-yl)-1-methylpyridin-2(1H)-one, Bromodomain-containing protein 4, GLYCEROL
著者Fontano, E, White, A, Lakshminarasimhan, D, Suto, R.K.
登録日2018-07-17
公開日2018-09-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Discovery and lead identification of quinazoline-based BRD4 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
6F25
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BU of 6f25 by Molmil
Crystal structure of human acetylcholinesterase in complex with C35.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Dias, J, Nachon, F.
登録日2017-11-23
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.05199647 Å)
主引用文献New evidence for dual binding site inhibitors of acetylcholinesterase as improved drugs for treatment of Alzheimer's disease.
Neuropharmacology, 155, 2019
6BM5
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BU of 6bm5 by Molmil
Crystal Structure of the MetH Reactivation Domain bound to AdoMet
分子名称: Methionine synthase, S-ADENOSYLMETHIONINE
著者Fick, R.J, Vander Lee, L.P, Trievel, R.C.
登録日2017-11-13
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Water-Mediated Carbon-Oxygen Hydrogen Bonding Facilitates S-Adenosylmethionine Recognition in the Reactivation Domain of Cobalamin-Dependent Methionine Synthase.
Biochemistry, 57, 2018
6BM6
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BU of 6bm6 by Molmil
Crystal Structure of the MetH Reactivation Domain bound to AdoHcy
分子名称: Methionine synthase, S-ADENOSYL-L-HOMOCYSTEINE
著者Fick, R.J, Vander Lee, L.P, Trievel, R.C.
登録日2017-11-13
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.504 Å)
主引用文献Water-Mediated Carbon-Oxygen Hydrogen Bonding Facilitates S-Adenosylmethionine Recognition in the Reactivation Domain of Cobalamin-Dependent Methionine Synthase.
Biochemistry, 57, 2018
2A6A
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BU of 2a6a by Molmil
Crystal structure of Glycoprotein endopeptidase (tm0874) from THERMOTOGA MARITIMA at 2.50 A resolution
分子名称: UNKNOWN LIGAND, hypothetical protein TM0874
著者Joint Center for Structural Genomics (JCSG)
登録日2005-07-02
公開日2005-07-19
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of an essential bacterial protein YeaZ (TM0874) from Thermotoga maritima at 2.5 A resolution.
Acta Crystallogr.,Sect.F, 66, 2010
1U6E
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BU of 1u6e by Molmil
1.85 Angstrom Crystal Structure of the C112A Mutant of Mycobacterium Tuberculosis Beta-Ketoacyl-Acyl Carrier Protein Synthase III (FabH)
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase III, CHLORIDE ION
著者Mussayev, F, Sachedeva, S, Scarsdale, J.N, Reynolds, K.A, Wright, H.T.
登録日2004-07-29
公開日2005-05-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of a substrate complex of Mycobacterium tuberculosis beta-ketoacyl-acyl carrier protein synthase III (FabH) with lauroyl-coenzyme A.
J.Mol.Biol., 346, 2005
6FLG
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BU of 6flg by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with 3(S)-(naphthylthio)succinyl-CPS1 peptide
分子名称: 1,2-ETHANEDIOL, 3(S)-(naphthylthio)succinyl-CPS1 peptide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Pannek, M, Steegborn, C.
登録日2018-01-25
公開日2018-04-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Potent and Selective Inhibitors of Human Sirtuin 5.
J. Med. Chem., 61, 2018
2FEA
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BU of 2fea by Molmil
Crystal structure of MtnX phosphatase from Bacillus Subtilis at 2.00 A resolution
分子名称: 1,2-ETHANEDIOL, 2-hydroxy-3-keto-5-methylthiopentenyl-1-phosphate phosphatase, MAGNESIUM ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2005-12-15
公開日2005-12-27
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of MtnX phosphatase from Bacillus subtilis at 2.0 A resolution provides a structural basis for bipartite phosphomonoester hydrolysis of 2-hydroxy-3-keto-5-methylthiopentenyl-1-phosphate.
Proteins, 69, 2007
5AO1
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BU of 5ao1 by Molmil
Crystal structure of human SAMHD1 (amino acid residues 115-583) bound to ddGTP
分子名称: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, FE (III) ION, ...
著者Schwefel, D, Taylor, I.A.
登録日2015-09-09
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.545 Å)
主引用文献Phospho-Dependent Regulation of Samhd1 Oligomerisation Couples Catalysis and Restriction.
Plos Pathog., 11, 2015
6BDY
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BU of 6bdy by Molmil
Crystal Structure of the MetH Reactivation Domain bound to Sinefungin
分子名称: Methionine synthase, SINEFUNGIN
著者Fick, R.J, Vander Lee, L.P, Trievel, R.C.
登録日2017-10-24
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.512 Å)
主引用文献Water-Mediated Carbon-Oxygen Hydrogen Bonding Facilitates S-Adenosylmethionine Recognition in the Reactivation Domain of Cobalamin-Dependent Methionine Synthase.
Biochemistry, 57, 2018
5AO2
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BU of 5ao2 by Molmil
Crystal structure of human SAMHD1 (amino acid residues 115-583) R164A variant bound to dGTP
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, FE (III) ION
著者Schwefel, D, Taylor, I.A.
登録日2015-09-09
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.966 Å)
主引用文献Phospho-Dependent Regulation of Samhd1 Oligomerisation Couples Catalysis and Restriction.
Plos Pathog., 11, 2015

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