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2ABO
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BU of 2abo by Molmil
NMR structure of gamma herpesvirus 68 a viral Bcl-2 homolog
分子名称: bcl-2 homolog
著者Loh, J, Huang, Q, Petros, A.M, Nettesheim, D, van Dyk, L.F, Labrada, L, Speck, S.H, Levine, B, Olejniczak, E.T, Virgin, H.W.
登録日2005-07-15
公開日2006-05-16
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A surface groove essential for viral Bcl-2 function during chronic infection in vivo.
Plos Pathog., 1, 2005
4RWP
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BU of 4rwp by Molmil
Crystal structure of porcine OAS1 in complex with dsRNA
分子名称: 2'-5'-oligoadenylate synthase 1, RNA (5'-R(*GP*GP*CP*UP*UP*UP*UP*GP*AP*CP*CP*UP*UP*UP*AP*UP*GP*AP*A)-3'), RNA (5'-R(*UP*UP*CP*AP*UP*AP*AP*AP*GP*GP*UP*CP*AP*AP*AP*AP*GP*CP*C)-3')
著者Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R.
登録日2014-12-05
公開日2015-05-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity.
Structure, 23, 2015
4RWN
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Crystal structure of the pre-reactive state of porcine OAS1
分子名称: 2'-5'-oligoadenylate synthase 1, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ...
著者Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R.
登録日2014-12-05
公開日2015-05-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity.
Structure, 23, 2015
4RWQ
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Crystal structure of the apo-state of porcine OAS1
分子名称: 2'-5'-oligoadenylate synthase 1
著者Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R.
登録日2014-12-05
公開日2015-05-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity.
Structure, 23, 2015
4RWO
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BU of 4rwo by Molmil
Crystal structure of the porcine OAS1 L149R mutant in complex with dsRNA and ApCpp in the AMP donor position
分子名称: 2'-5'-oligoadenylate synthase 1, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ...
著者Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R.
登録日2014-12-05
公開日2015-05-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity.
Structure, 23, 2015
4K27
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BU of 4k27 by Molmil
Myotonic Dystrophy Type 2 RNA: Structural Studies and Designed Small Molecules that Modulate RNA Function
分子名称: CHLORIDE ION, MAGNESIUM ION, Myotonic Dystrophy Type 2 RNA
著者Park, H, Lohman, J, Disney, M.D.
登録日2013-04-08
公開日2013-11-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Myotonic Dystrophy Type 2 RNA: Structural Studies and Designed Small Molecules that Modulate RNA Function
ACS CHEM.BIOL., 2013
4ZNM
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BU of 4znm by Molmil
Crystal structure of SgcC5 protein from Streptomyces globisporus (apo form)
分子名称: C-domain type II peptide synthetase, CHLORIDE ION, SODIUM ION
著者Michalska, K, Bigelow, L, Jedrzejczak, R, Babnigg, G, Lohman, J, Ma, M, Rudolf, J, Chang, C.-Y, Shen, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2015-05-04
公開日2015-05-27
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Crystal structure of SgcC5 protein from Streptomyces globisporus (apo form)
To Be Published
4ZXW
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Crystal structure of SgcC5 protein from Streptomyces globisporus (complex with (R)-(-)-1-(2-naphthyl)-1,2-ethanediol and sucrose)
分子名称: (1R)-1-(naphthalen-2-yl)ethane-1,2-diol, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, C-domain type II peptide synthetase, ...
著者Michalska, K, Bigelow, L, Jedrzejczak, R, Babnigg, G, Lohman, J, Ma, M, Rudolf, J, Chang, C.-Y, Shen, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2015-05-20
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.187 Å)
主引用文献Crystal structure of SgcC5 protein from Streptomyces globisporus
To Be Published
5BMO
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BU of 5bmo by Molmil
LnmX protein, a putative GlcNAc-PI de-N-acetylase from Streptomyces atroolivaceus
分子名称: ACETATE ION, POTASSIUM ION, Putative uncharacterized protein LnmX
著者Osipiuk, J, Hatzos-Skintges, C, Cuff, M, Endres, M, Babnigg, G, Lohman, J, Ma, M, Rudolf, J, Chang, C.-Y, Shen, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2015-05-22
公開日2015-06-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献LnmX protein, a putative GlcNAc-PI de-N-acetylase from Streptomyces atroolivaceus.
to be published
7QI0
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BU of 7qi0 by Molmil
Crystal structure of KLK6 in complex with compound DKFZ918
分子名称: (5~{R})-3-(6-carbamimidoylpyridin-3-yl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide, Kallikrein-6
著者Jagtap, P.K.A, Baumann, A, Lohbeck, J, Isak, D, Miller, A, Hennig, J.
登録日2021-12-14
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Scalable synthesis and structural characterization of reversible KLK6 inhibitors.
Rsc Adv, 12, 2022
7QHZ
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BU of 7qhz by Molmil
Crystal structure of KLK6 in complex with compound DKFZ917
分子名称: (5~{R})-3-(4-carbamimidoylphenyl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide, GLYCEROL, Kallikrein-6
著者Jagtap, P.K.A, Baumann, A, Lohbeck, J, Isak, D, Miller, A, Hennig, J.
登録日2021-12-14
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Scalable synthesis and structural characterization of reversible KLK6 inhibitors.
Rsc Adv, 12, 2022
4Z5Q
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BU of 4z5q by Molmil
Crystal structure of the LnmZ cytochrome P450 hydroxylase from the leinamycin biosynthetic pathway of Streptomyces atroolivaceus S-140 at 1.8 A resolution
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, Cytochrome P450 hydroxylase, ...
著者Ma, M, Lohman, J, Rudolf, J, Miller, M.D, Cao, H, Osipiuk, J, Joachimiak, A, Phillips Jr, G.N, Shen, B, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2015-04-02
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Crystal structure of the LnmZ cytochrome P450 hydroxylase from the leinamycin biosynthetic pathway of Streptomyces atroolivaceus S-140
To be Published
4Z5P
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BU of 4z5p by Molmil
Crystal structure of the LnmA cytochrome P450 hydroxylase from the leinamycin biosynthetic pathway of Streptomyces atroolivaceus S-140 at 1.9 A resolution
分子名称: Cytochrome P450 hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, TRIETHYLENE GLYCOL
著者Ma, M, Lohman, J, Rudolf, J, Miller, M.D, Cao, H, Osipiuk, J, Babnigg, G, Phillips Jr, G.N, Joachimiak, A, Shen, B, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2015-04-02
公開日2015-07-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the LnmA cytochrome P450 hydroxylase from the leinamycin biosynthetic pathway of Streptomyces atroolivaceus S-140
To be Published
4HVM
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BU of 4hvm by Molmil
Crystal structure of tallysomycin biosynthesis protein TlmII
分子名称: SULFATE ION, TlmII
著者Chang, C, Bigelow, L, Bearden, J, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2012-11-06
公開日2012-11-21
最終更新日2014-04-16
実験手法X-RAY DIFFRACTION (2.704 Å)
主引用文献Crystal structure of tallysomycin biosynthesis protein TlmII
To be Published
5F4Z
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BU of 5f4z by Molmil
The crystal structure of an epoxide hydrolase from Streptomyces carzinostaticus subsp. neocarzinostaticus
分子名称: (1~{R},2~{R})-2,3-dihydro-1~{H}-indene-1,2-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
著者Tan, K, Li, H, Jedrzejczak, R, BABNIGG, G, BINGMAN, C.A, YENNAMALLI, R, LOHMAN, J, Chang, C.Y, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2015-12-03
公開日2016-02-17
最終更新日2020-09-23
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献The crystal structure of an epoxide hydrolase from Streptomyces carzinostaticus subsp. neocarzinostaticus
To Be Published
4QA9
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BU of 4qa9 by Molmil
Ensemble refinement of an epoxide hydrolase from Streptomyces carzinostaticus subsp. neocarzinostaticus.
分子名称: 1,2-ETHANEDIOL, Epoxide hydrolase, SULFATE ION
著者Wang, F, Tan, K, Bigelow, L, Clancy, S, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J, Ma, M, Shen, B, Joachimiak, A, Phillips Jr, G.N, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2014-05-02
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Ensemble refinement of an epoxide hydrolase from Streptomyces carzinostaticus subsp. neocarzinostaticus.
To be Published
4I19
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BU of 4i19 by Molmil
The crystal structure of an epoxide hydrolase from Streptomyces carzinostaticus subsp. neocarzinostaticus.
分子名称: ACETATE ION, Epoxide hydrolase, FORMIC ACID
著者Tan, K, Bigelow, L, Clancy, S, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2012-11-20
公開日2012-12-05
最終更新日2013-01-30
実験手法X-RAY DIFFRACTION (2.148 Å)
主引用文献The crystal structure of an epoxide hydrolase from Streptomyces carzinostaticus subsp. neocarzinostaticus.
To be Published
4NEO
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BU of 4neo by Molmil
Structure of BlmI, a type-II acyl-carrier-protein from Streptomyces verticillus involved in bleomycin biosynthesis
分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, Peptide synthetase NRPS type II-PCP
著者Cuff, M.E, Bigelow, L, Bearden, J, Babnigg, G, Bruno, C.J.P, Bingman, C.A, Yennamalli, R, Lohman, J, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG)
登録日2013-10-29
公開日2014-01-29
最終更新日2023-03-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The crystal structure of BlmI as a model for nonribosomal peptide synthetase peptidyl carrier proteins.
Proteins, 82, 2014
4I4J
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BU of 4i4j by Molmil
The structure of SgcE10, the ACP-polyene thioesterase involved in C-1027 biosynthesis
分子名称: 1,2-ETHANEDIOL, ACP-polyene thioesterase, D(-)-TARTARIC ACID, ...
著者Kim, Y, Bigelow, L, Bearden, J, Babnigg, J, Bingman, C.A, Yennamalli, R, Lohman, J, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2012-11-27
公開日2012-12-12
最終更新日2022-05-04
実験手法X-RAY DIFFRACTION (2.784 Å)
主引用文献Crystal Structure of Thioesterase SgcE10 Supporting Common Polyene Intermediates in 9- and 10-Membered Enediyne Core Biosynthesis.
Acs Omega, 2, 2017
3CCN
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BU of 3ccn by Molmil
X-ray structure of c-Met with triazolopyridazine inhibitor.
分子名称: 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol, Hepatocyte growth factor receptor
著者Abrecht, B.K, Harmange, J.-C, Bauer, D, Dussault, I, long, A, Bellon, S.F.
登録日2008-02-26
公開日2008-04-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Optimization of Triazolopyridazines as Potent and Selective Inhibitors of the c-Met Kinase.
J.Med.Chem., 51, 2008
3CD8
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BU of 3cd8 by Molmil
X-ray Structure of c-Met with triazolopyridazine Inhibitor.
分子名称: 7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline, Hepatocyte growth factor receptor
著者Bellon, S.F, Albrecht, B.K, Harmange, J.-C, Bauer, D, Choquette, D, Dussault, I.
登録日2008-02-26
公開日2008-04-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and Optimization of Triazolopyridazines as Potent and Selective Inhibitors of the c-Met Kinase.
J.Med.Chem., 51, 2008
4XMO
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BU of 4xmo by Molmil
Crystal structure of c-Met in complex with (R)-5-(8-fluoro-3-(1-fluoro-1-(3-methoxyquinolin-6-yl)ethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methylisoxazole
分子名称: 6-{(1R)-1-fluoro-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-methoxyquinoline, Hepatocyte growth factor receptor
著者Whittington, D.A, Long, A.M.
登録日2015-01-14
公開日2015-03-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of Potent and Selective 8-Fluorotriazolopyridine c-Met Inhibitors.
J.Med.Chem., 58, 2015
4XYF
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BU of 4xyf by Molmil
Crystal structure of c-Met in complex with (S)-5-(8-fluoro-3-(1-(3-(2-methoxyethoxy)quinolin-6-yl)ethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methylisoxazole
分子名称: 6-{(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-(2-methoxyethoxy)quinoline, Hepatocyte growth factor receptor
著者Whittington, D.A, Long, A.M.
登録日2015-02-02
公開日2015-03-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of Potent and Selective 8-Fluorotriazolopyridine c-Met Inhibitors.
J.Med.Chem., 58, 2015
5EYC
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Crystal structure of c-Met in complex with naphthyridinone inhibitor 5
分子名称: 6-[(1~{R})-1-[8-fluoranyl-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one, Hepatocyte growth factor receptor
著者Whittington, D.A, Long, A.M.
登録日2015-11-24
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of (R)-6-(1-(8-Fluoro-6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)-3-(2-methoxyethoxy)-1,6-naphthyridin-5(6H)-one (AMG 337), a Potent and Selective Inhibitor of MET with High Unbound Target Coverage and Robust In Vivo Antitumor Activity.
J.Med.Chem., 59, 2016
5EYD
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Crystal structure of c-Met in complex with AMG 337
分子名称: 6-[(1~{R})-1-[8-fluoranyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one, Hepatocyte growth factor receptor
著者Whittington, D.A, Long, A.M.
登録日2015-11-24
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of (R)-6-(1-(8-Fluoro-6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)-3-(2-methoxyethoxy)-1,6-naphthyridin-5(6H)-one (AMG 337), a Potent and Selective Inhibitor of MET with High Unbound Target Coverage and Robust In Vivo Antitumor Activity.
J.Med.Chem., 59, 2016

 

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