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7YW4
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Crystal structure of tRNA 2'-phosphotransferase from Saccharomyces cerevisiae
分子名称: D(-)-TARTARIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, tRNA 2'-phosphotransferase
著者Yang, X.Y, Liu, X.H.
登録日2022-08-21
公開日2023-07-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structural and biochemical insights into the molecular mechanism of TRPT1 for nucleic acid ADP-ribosylation.
Nucleic Acids Res., 51, 2023
7YW2
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Crystal structure of tRNA 2'-phosphotransferase from Mus musculus
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, GLYCINE, ...
著者Yang, X.Y, Liu, X.H.
登録日2022-08-21
公開日2023-07-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structural and biochemical insights into the molecular mechanism of TRPT1 for nucleic acid ADP-ribosylation.
Nucleic Acids Res., 51, 2023
4M12
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Crystal structure of ITK in complex with compound 7 [4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide]
分子名称: 4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4LWS
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BU of 4lws by Molmil
EsxA : EsxB (SeMet) hetero-dimer from Thermomonospora curvata
分子名称: ACETATE ION, GLYCEROL, Uncharacterized protein
著者Dovala, D.L, Cox, J.S, Stroud, R.M, Rosenberg, O.S.
登録日2013-07-28
公開日2015-02-04
最終更新日2016-09-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Substrates Control Multimerization and Activation of the Multi-Domain ATPase Motor of Type VII Secretion.
Cell(Cambridge,Mass.), 161, 2015
4M0Z
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Crystal structure of ITK in complex with compound 5 {4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide}
分子名称: 4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4MBJ
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BU of 4mbj by Molmil
Human B-Raf Kinase Domain in Complex with an Imidazopyridine-based Inhibitor
分子名称: 2,6-difluoro-N-(1H-imidazo[4,5-b]pyridin-6-yl)-3-[(propylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf
著者Voegtli, W.C.
登録日2013-08-19
公開日2013-10-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Imidazo[4,5-b]pyridine inhibitors of B-Raf kinase.
Bioorg.Med.Chem.Lett., 23, 2013
7WPH
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BU of 7wph by Molmil
SARS-CoV2 RBD bound to Fab06
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB06 light chain, Fab06 heavy chain, ...
著者Lin, J.Q, El Sahili, A, Lescar, J.
登録日2022-01-23
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
7WPV
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BU of 7wpv by Molmil
Fab14 - a SARS-CoV2 RBD neutralising antibody
分子名称: Fab14 heavy chain, Fab14 light chain
著者Lin, J.Q, El Sahili, A, Lescar, J.
登録日2022-01-24
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
4HZ0
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BU of 4hz0 by Molmil
Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
分子名称: 7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-amine, DNA topoisomerase 4 subunit B, MAGNESIUM ION
著者Bensen, D.C, Trzoss, M, Tari, L.W.
登録日2012-11-14
公開日2013-02-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
7CWQ
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BU of 7cwq by Molmil
Crystal structure of a novel cutinase from Burkhoderiales bacterium RIFCSPLOWO2_02_FULL_57_36
分子名称: DLH domain-containing protein, SULFATE ION
著者Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
登録日2020-08-30
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis.
Nat Catal, 4, 2021
4HYP
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BU of 4hyp by Molmil
Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
分子名称: DNA gyrase subunit B, MAGNESIUM ION, N-[7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]cyclopropanecarboxamide
著者Bensen, D.C, Creighton, C.J, Tari, L.W.
登録日2012-11-13
公開日2013-02-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4HZ5
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BU of 4hz5 by Molmil
Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity
分子名称: 6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde, DNA topoisomerase IV, B subunit
著者Bensen, D.C, Creighton, C.J, Tari, L.W.
登録日2012-11-14
公開日2013-02-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
7CY0
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BU of 7cy0 by Molmil
Crystal structure of S185H mutant PET hydrolase from Ideonella sakaiensis
分子名称: ACETIC ACID, Poly(ethylene terephthalate) hydrolase
著者Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
登録日2020-09-03
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis.
Nat Catal, 4, 2021
4OK5
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BU of 4ok5 by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 9 [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid]
分子名称: CALCIUM ION, Serine protease NS3, [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid
著者Padyana, A.K.
登録日2014-01-21
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4OJQ
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BU of 4ojq by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Fragment 1 [(5-bromo-1H-indol-3-yl)acetic acid]
分子名称: (5-bromo-1H-indol-3-yl)acetic acid, CALCIUM ION, Serine protease NS3
著者Padyana, A.K.
登録日2014-01-21
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4OKS
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BU of 4oks by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 19 [[6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid]
分子名称: CALCIUM ION, Serine protease NS3, [6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid
著者Padyana, A.K.
登録日2014-01-22
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4NH0
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BU of 4nh0 by Molmil
Cytoplasmic domain of the Thermomonospora curvata Type VII Secretion ATPase EccC
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cell divisionFtsK/SpoIIIE, MAGNESIUM ION, ...
著者Rosenberg, O.S, Cox, J.S, Stroud, R.M, Strauli, N, Dovala, D.
登録日2013-11-03
公開日2015-02-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Substrates Control Multimerization and Activation of the Multi-Domain ATPase Motor of Type VII Secretion.
Cell(Cambridge,Mass.), 161, 2015
4K7F
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BU of 4k7f by Molmil
Newly identified epitope V60 from HBV core protein complexed with HLA-A*0201
分子名称: Beta-2-microglobulin, Core protein, HLA class I histocompatibility antigen, ...
著者Meng, S.D, Zhang, Y, Wu, Y, Qi, J.X.
登録日2013-04-17
公開日2013-06-05
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The L60V variation in hepatitis B virus core protein elicits new epitope-specific cytotoxic T lymphocytes and enhances viral replication.
J.Virol., 87, 2013
7WVZ
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BU of 7wvz by Molmil
CalA3_modular PKS_KS-AT-DH-KR
分子名称: Beta-ketoacyl-acyl-carrier-protein synthase I
著者Wang, J, Wang, Z.
登録日2022-02-12
公開日2023-02-22
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献C-N bond formation by a polyketide synthase.
Nat Commun, 14, 2023
4JR7
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BU of 4jr7 by Molmil
Crystal structure of scCK2 alpha in complex with GMPPNP
分子名称: Casein kinase II subunit alpha, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Liu, H.
登録日2013-03-21
公開日2014-03-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献The multiple nucleotide-divalent cation binding modes of Saccharomyces cerevisiae CK2 alpha indicate a possible co-substrate hydrolysis product (ADP/GDP) release pathway.
Acta Crystallogr.,Sect.D, 70, 2014
4MWH
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Crystal structure of scCK2 alpha in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, MAGNESIUM ION, ...
著者Liu, H.
登録日2013-09-24
公開日2013-11-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The multiple nucleotide-divalent cation binding modes of Saccharomyces cerevisiae CK2 alpha indicate a possible co-substrate hydrolysis product (ADP/GDP) release pathway.
Acta Crystallogr.,Sect.D, 70, 2014
4J98
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Crystal Structure of FGF Receptor 2 (FGFR2) Kinase Domain Harboring the Gain-of-Function K659Q Mutation.
分子名称: Fibroblast growth factor receptor 2, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION
著者Huang, Z, Chen, H, Mohammadi, M.
登録日2013-02-15
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3067 Å)
主引用文献Cracking the Molecular Origin of Intrinsic Tyrosine Kinase Activity through Analysis of Pathogenic Gain-of-Function Mutations.
Cell Rep, 4, 2013
4N1A
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BU of 4n1a by Molmil
Thermomonospora curvata EccC (ATPases 2 and 3) in complex with a signal sequence peptide
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cell divisionFtsK/SpoIIIE, MAGNESIUM ION, ...
著者Dovala, D.L, Bendebury, A, Cox, J.S, Stroud, R.M, Rosenberg, O.S.
登録日2013-10-03
公開日2015-02-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Substrates Control Multimerization and Activation of the Multi-Domain ATPase Motor of Type VII Secretion.
Cell(Cambridge,Mass.), 161, 2015
4JQE
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Crystal structure of scCK2 alpha in complex with AMPPN
分子名称: Casein kinase II subunit alpha, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Liu, H.
登録日2013-03-20
公開日2014-03-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献The multiple nucleotide-divalent cation binding modes of Saccharomyces cerevisiae CK2 alpha indicate a possible co-substrate hydrolysis product (ADP/GDP) release pathway.
Acta Crystallogr.,Sect.D, 70, 2014
4J99
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Crystal Structure of FGF Receptor 2 (FGFR2) Kinase Domain Harboring the Gain-of-Function K659T Mutation.
分子名称: Fibroblast growth factor receptor 2, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Chen, H, Mohammadi, M.
登録日2013-02-15
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8474 Å)
主引用文献Cracking the Molecular Origin of Intrinsic Tyrosine Kinase Activity through Analysis of Pathogenic Gain-of-Function Mutations.
Cell Rep, 4, 2013

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