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4ED4
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BU of 4ed4 by Molmil
Crystal structure of IspE (4-diphosphocytidyl-2-C-methyl-D-erythritol kinase) from Mycobacterium abcessus, bound to ATP
分子名称: 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, ADENOSINE-5'-TRIPHOSPHATE
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-03-26
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
8F5S
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BU of 8f5s by Molmil
human branched chain ketoacid dehydrogenase kinase in complex with inhibitors
分子名称: (2M)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Liu, S, Roth Flach, R, Bollinger, E, Filipski, K.
登録日2022-11-15
公開日2023-07-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.793 Å)
主引用文献Small molecule branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors with opposing effects on BDK protein levels.
Nat Commun, 14, 2023
4E98
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BU of 4e98 by Molmil
Crystal structure of possible CutA1 divalent ion tolerance protein from Cryptosporidium parvum Iowa II
分子名称: CHLORIDE ION, CutA1 divalent ion tolerance protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID), Buchko, G.W, Robinson, H.
登録日2012-03-20
公開日2012-04-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of a CutA1 divalent-cation tolerance protein from Cryptosporidium parvum, the protozoal parasite responsible for cryptosporidiosis.
Acta Crystallogr F Struct Biol Commun, 71, 2015
4EO9
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BU of 4eo9 by Molmil
Crystal structure of a phosphoglycerate mutase gpm1 from Mycobacterium leprae
分子名称: 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase, CHLORIDE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-04-13
公開日2012-04-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4HDT
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BU of 4hdt by Molmil
Crystal structure of a Carnitinyl-CoA dehydratase from Mycobacterium thermoresistibile
分子名称: 3-hydroxyisobutyryl-CoA hydrolase, ACETATE ION, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-10-02
公開日2012-10-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4Q9S
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BU of 4q9s by Molmil
Crystal Structure of human Focal Adhesion Kinase (Fak) bound to Compound1 (3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE)
分子名称: 3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, Focal adhesion kinase 1
著者Argiriadi, M.A, George, D.M.
登録日2014-05-01
公開日2014-07-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery of Selective and Orally Bioavailable Protein Kinase C theta (PKC theta ) Inhibitors from a Fragment Hit.
J.Med.Chem., 58, 2015
5ZOI
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BU of 5zoi by Molmil
Crystal Structure of alpha1,3-Fucosyltransferase
分子名称: Alpha-(1,3)-fucosyltransferase FucT, [[(2S,3R,4S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
著者Tan, Y, Yang, G.
登録日2018-04-13
公開日2019-06-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Directed evolution of an alpha 1,3-fucosyltransferase using a single-cell ultrahigh-throughput screening method.
Sci Adv, 5, 2019
4EGF
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BU of 4egf by Molmil
Crystal structure of a L-xylulose reductase from Mycobacterium smegmatis
分子名称: L-xylulose reductase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID), Arakaki, T.L, Staker, B.L, Fairman, J.W.
登録日2012-03-30
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4Q9Z
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BU of 4q9z by Molmil
Human Protein Kinase C Theta in Complex with Compound35 ((1R)-9-(AZETIDIN-3-YLAMINO)-1,8-DIMETHYL-3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE)
分子名称: (1R)-9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, HUMAN PROTEIN KINASE C THETA, SODIUM ION
著者Argiriadi, M.A, George, D.M.
登録日2014-05-02
公開日2014-07-02
最終更新日2015-01-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of Selective and Orally Bioavailable Protein Kinase C theta (PKC theta ) Inhibitors from a Fragment Hit.
J.Med.Chem., 58, 2015
3ADZ
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BU of 3adz by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with intermediate PSPP
分子名称: Dehydrosqualene synthase, MAGNESIUM ION, {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate
著者Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E.
登録日2010-01-31
公開日2010-11-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
4FFC
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BU of 4ffc by Molmil
Crystal structure of a 4-aminobutyrate aminotransferase (GabT) from Mycobacterium abscessus
分子名称: 1,2-ETHANEDIOL, 4-aminobutyrate aminotransferase (GabT)
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-05-31
公開日2012-06-13
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4HR3
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BU of 4hr3 by Molmil
Structure of a putative acyl-CoA dehydrogenase from Mycobacterium abscessus
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Putative acyl-CoA dehydrogenase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-10-26
公開日2012-11-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3AE0
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BU of 3ae0 by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with geranylgeranyl thiopyrophosphate
分子名称: Dehydrosqualene synthase, MAGNESIUM ION, phosphonooxy-[(10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid
著者Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E.
登録日2010-01-31
公開日2010-11-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
4F3W
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BU of 4f3w by Molmil
Crystal structure of cytidine deaminase Cdd from Mycobacterium marinum
分子名称: Cytidine deaminase Cdd, ZINC ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-05-09
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
2Z4Z
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BU of 2z4z by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-sc01
分子名称: (6E,11E)-HEPTADECA-6,11-DIENE-9,9-DIYLBIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION
著者Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J.
登録日2007-06-26
公開日2008-07-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
4GGF
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BU of 4ggf by Molmil
Crystal structure of Mn2+ bound calprotectin
分子名称: CALCIUM ION, GLYCEROL, MANGANESE (II) ION, ...
著者Damo, S.M, Fritz, G.
登録日2012-08-06
公開日2013-02-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular basis for manganese sequestration by calprotectin and roles in the innate immune response to invading bacterial pathogens.
Proc.Natl.Acad.Sci.USA, 110, 2013
2Z50
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BU of 2z50 by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with BPH-28
分子名称: (1-HYDROXYHEPTANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase
著者Guo, R.T, Chen, C.K.-M, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J.
登録日2007-06-26
公開日2008-07-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
4N43
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BU of 4n43 by Molmil
Human enterovirus 71 uncoating intermediate captured at atomic resolution
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3
著者Chen, R, Lyu, K.
登録日2013-10-08
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.8011 Å)
主引用文献Human enterovirus 71 uncoating captured at atomic resolution.
J.Virol., 88, 2014
2Z4Y
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BU of 2z4y by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-252
分子名称: (1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION
著者Chen, C.K.-M, Guo, R.T, Hudock, M, Cao, R, Oldfield, E, Wang, A.H.-J.
登録日2007-06-26
公開日2008-07-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation
J.Med.Chem., 51, 2008
4R3R
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BU of 4r3r by Molmil
Crystal structures of EGFR in complex with Mig6
分子名称: Epidermal growth factor receptor, peptide from ERBB receptor feedback inhibitor 1'
著者Park, E, Kim, N, Yi, Z, Cho, A, Kim, K, Ficarro, S.B, Park, A, Park, W.Y, Murray, B, Meyerson, M, Beroukim, R, Marto, J.A, Cho, J, Eck, M.J.
登録日2014-08-17
公開日2015-08-12
最終更新日2015-09-16
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structure and mechanism of activity-based inhibition of the EGF receptor by Mig6.
Nat.Struct.Mol.Biol., 22, 2015
4R5S
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BU of 4r5s by Molmil
Crystal structure of EGFR 696-1022 L858R in complex with FIIN-3
分子名称: Epidermal growth factor receptor, N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide
著者Zhu, S.J, Yun, C.H.
登録日2014-08-22
公開日2014-11-12
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
4RA5
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BU of 4ra5 by Molmil
Human Protein Kinase C THETA IN COMPLEX WITH LIGAND COMPOUND 11a (6-[(1,3-Dimethyl-azetidin-3-yl)-methyl-amino]-4(R)-methyl-7-phenyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one)
分子名称: (1R)-9-[(1,3-dimethylazetidin-3-yl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, 1,2-ETHANEDIOL, HUMAN PROTEIN KINASE C THETA, ...
著者Argiriadi, M.A, George, D.M.
登録日2014-09-09
公開日2014-10-08
最終更新日2015-02-04
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis.
J.Med.Chem., 58, 2015
3AJM
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BU of 3ajm by Molmil
Crystal structure of programmed cell death 10 in complex with inositol 1,3,4,5-tetrakisphosphate
分子名称: INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Programmed cell death protein 10
著者Ding, J, Wang, D.C.
登録日2010-06-09
公開日2010-06-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of human programmed cell death 10 complexed with inositol-(1,3,4,5)-tetrakisphosphate: a novel adaptor protein involved in human cerebral cavernous malformation.
Biochem.Biophys.Res.Commun., 399, 2010
3ACW
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BU of 3acw by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-651
分子名称: (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol, Dehydrosqualene synthase
著者Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E.
登録日2010-01-13
公開日2010-11-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Mechanism of action and inhibition of dehydrosqualene synthase
Proc.Natl.Acad.Sci.USA, 107, 2010
3ACX
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Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-673
分子名称: Dehydrosqualene synthase, N-(1-methylethyl)-3-[(3-prop-2-en-1-ylbiphenyl-4-yl)oxy]propan-1-amine
著者Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E.
登録日2010-01-13
公開日2010-11-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Mechanism of action and inhibition of dehydrosqualene synthase
Proc.Natl.Acad.Sci.USA, 107, 2010

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