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6E85
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BU of 6e85 by Molmil
1.25 Angstrom Resolution Crystal Structure of 4-hydroxythreonine-4-phosphate Dehydrogenase from Klebsiella pneumoniae.
分子名称: CHLORIDE ION, D-threonate 4-phosphate dehydrogenase, FORMIC ACID, ...
著者Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Endres, M, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-07-27
公開日2018-08-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
4DQD
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BU of 4dqd by Molmil
The crystal structure of a transporter in complex with 3-phenylpyruvic acid
分子名称: 3-HYDROXYPYRUVIC ACID, 3-PHENYLPYRUVIC ACID, Extracellular ligand-binding receptor, ...
著者Tan, K, Mack, J.C, Zerbs, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2012-02-15
公開日2012-02-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Structural and functional characterization of solute binding proteins for aromatic compounds derived from lignin: p-Coumaric acid and related aromatic acids.
Proteins, 81, 2013
4W9T
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BU of 4w9t by Molmil
Crystal structure of HisAP from Streptomyces sp. Mg1
分子名称: Phosphoribosyl isomerase A, SULFATE ION
著者MICHALSKA, K, VERDUZCO-CASTRO, E.A, ENDRES, M, BARONA-GOMEZ, F, JOACHIMIAK, A, Midwest Center for Structural Genomics (MCSG)
登録日2014-08-27
公開日2014-09-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Co-occurrence of analogous enzymes determines evolution of a novel ( beta alpha )8-isomerase sub-family after non-conserved mutations in flexible loop.
Biochem. J., 473, 2016
3NW5
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BU of 3nw5 by Molmil
Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with a carbon-linked proline isostere inhibitor (11B)
分子名称: Insulin-like growth factor 1 receptor, N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2R)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
著者Sack, J.S.
登録日2010-07-09
公開日2010-07-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR kinase.
Bioorg.Med.Chem.Lett., 20, 2010
3NW6
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BU of 3nw6 by Molmil
Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with a carbon-linked proline isostere inhibitor (11A)
分子名称: Insulin-like growth factor 1 receptor, N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2S)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
著者Sack, J.S.
登録日2010-07-09
公開日2010-07-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR kinase.
Bioorg.Med.Chem.Lett., 20, 2010
6RJK
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BU of 6rjk by Molmil
Structure of virulence factor SghA from Agrobacterium tumefaciens
分子名称: Beta-glucosidase
著者Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G.
登録日2019-04-27
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.922 Å)
主引用文献Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals.
Proc.Natl.Acad.Sci.USA, 116, 2019
6RK2
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BU of 6rk2 by Molmil
Complex structure of virulence factor SghA mutant with its substrate SAG
分子名称: 2-(alpha-L-altropyranosyloxy)benzoic acid, Beta-glucosidase
著者Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G.
登録日2019-04-30
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals.
Proc.Natl.Acad.Sci.USA, 116, 2019
6RJM
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BU of 6rjm by Molmil
Complex structure of virulence factor SghA and its hydrolysis product glucose
分子名称: Beta-glucosidase, alpha-D-glucopyranose
著者Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G.
登録日2019-04-27
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.112 Å)
主引用文献Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals.
Proc.Natl.Acad.Sci.USA, 116, 2019
6RJO
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BU of 6rjo by Molmil
Complex structure of virulence factor SghA with its substrate analog salicin
分子名称: 2-(hydroxymethyl)phenyl beta-D-glucopyranoside, Beta-glucosidase
著者Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G.
登録日2019-04-28
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.804 Å)
主引用文献Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals.
Proc.Natl.Acad.Sci.USA, 116, 2019
5BPY
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BU of 5bpy by Molmil
Crystal structure of bruton agammaglobulinemia tyrosine kinase complexed with BMS-824171 AKA 6-[(3R)-3-(4-tert-bu tylbenzamido)piperidin-1-yl]-2-{[4-(morpholine-4-carbonyl) phenyl]amino}pyridine-3-carboxamide
分子名称: 6-{(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl}-2-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}pyridine-3-carboxamide, Tyrosine-protein kinase BTK
著者Muckelbauer, J.K.
登録日2015-05-28
公開日2015-09-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Design and synthesis of carbazole carboxamides as promising inhibitors of Bruton's tyrosine kinase (BTK) and Janus kinase 2 (JAK2).
Bioorg.Med.Chem.Lett., 25, 2015
5BQ0
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BU of 5bq0 by Molmil
Crystal structure of bruton agammaglobulinemia tyrosine kinase complexed with BMS-824171 AKA 6-[(3R)-3-(4-tert-bu tylbenzamido)piperidin-1-yl]-2-{[4-(morpholine-4-carbonyl) phenyl]amino}pyridine-3-carboxamide
分子名称: 1,2-ETHANEDIOL, 4-(2-chlorophenyl)-7-[(4-methylpiperazin-1-yl)carbonyl]-9H-carbazole-1-carboxamide, DIMETHYL SULFOXIDE, ...
著者Muckelbauer, J.K.
登録日2015-05-28
公開日2015-09-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Design and synthesis of carbazole carboxamides as promising inhibitors of Bruton's tyrosine kinase (BTK) and Janus kinase 2 (JAK2).
Bioorg.Med.Chem.Lett., 25, 2015
6KZ5
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BU of 6kz5 by Molmil
Crystal Structure Analysis of the Csn-B-bounded NUR77 Ligand binding Domain
分子名称: Nuclear receptor subfamily 4 group A member 1, ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate
著者Hong, W, Chen, H, Wu, Q, Lin, T.
登録日2019-09-23
公開日2020-10-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (4.45 Å)
主引用文献Blocking PPAR gamma interaction facilitates Nur77 interdiction of fatty acid uptake and suppresses breast cancer progression.
Proc.Natl.Acad.Sci.USA, 117, 2020
7STS
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BU of 7sts by Molmil
Crystal Structure of Human Fab S24-1379 in the Complex with the N-teminal Domain of Nucleocapsid Protein from SARS CoV-2
分子名称: Fab S24-1379, heavy chain, light chain, ...
著者Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-11-15
公開日2022-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024
7SUE
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BU of 7sue by Molmil
Crystal Structure of Human Fab S24-188 in the complex with the N-teminal Domain of Nucleocapsid protein from SARS CoV-2
分子名称: Nucleoprotein, S24-188 Fab Heavy chain, S24-188 Fab Light chain
著者Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-11-17
公開日2022-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024
7STR
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BU of 7str by Molmil
Crystal Structure of Human Fab S24-1063 in the Complex with the N-teminal Domain of Nucleocapsid Protein from SARS CoV-2
分子名称: 1,2-ETHANEDIOL, Fab S24-1063, Heavy chain, ...
著者Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-11-15
公開日2022-08-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024
5BSG
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BU of 5bsg by Molmil
Crystal structure of Medicago truncatula (delta)1-Pyrroline-5-Carboxylate Reductase (MtP5CR) in complex with NADP+
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Ruszkowski, M, Nocek, B, Forlani, G, Dauter, Z.
登録日2015-06-02
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The structure of Medicago truncatula delta (1)-pyrroline-5-carboxylate reductase provides new insights into regulation of proline biosynthesis in plants.
Front Plant Sci, 6, 2015
5BSH
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BU of 5bsh by Molmil
Crystal structure of Medicago truncatula (delta)1-Pyrroline-5-Carboxylate Reductase (MtP5CR) in complex with L-Proline
分子名称: PROLINE, Pyrroline-5-carboxylate reductase
著者Ruszkowski, M, Nocek, B, Forlani, G, Dauter, Z.
登録日2015-06-02
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure of Medicago truncatula delta (1)-pyrroline-5-carboxylate reductase provides new insights into regulation of proline biosynthesis in plants.
Front Plant Sci, 6, 2015
6WQH
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BU of 6wqh by Molmil
Molecular basis for the ATPase-powered substrate translocation by the Lon AAA+ protease
分子名称: ADENOSINE-5'-DIPHOSPHATE, Ig2 substrate, Lon protease, ...
著者Zhang, K, Li, S, Hsiehb, K, Sub, S, Pintilie, G, Chiu, W, Chang, C.
登録日2020-04-28
公開日2021-06-09
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Molecular basis for ATPase-powered substrate translocation by the Lon AAA+ protease.
J.Biol.Chem., 297, 2021
7N3C
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BU of 7n3c by Molmil
Crystal Structure of Human Fab S24-202 in the complex with the N-terminal Domain of Nucleocapsid protein from SARS CoV-2
分子名称: 1,2-ETHANEDIOL, IODIDE ION, Nucleoprotein, ...
著者Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-05-31
公開日2021-07-07
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024
7N3D
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BU of 7n3d by Molmil
Crystal Structure of Human Fab S24-1564 in the complex with the N-terminal Domain of Nucleocapsid protein from SARS CoV-2
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Nucleoprotein, ...
著者Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-05-31
公開日2021-07-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024
7RJJ
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BU of 7rjj by Molmil
Crystal Structure of the Peptidoglycan Binding Domain of the Outer Membrane Protein (OmpA) from Klebsiella pneumoniae with bound D-alanine
分子名称: CHLORIDE ION, D-ALANINE, OmpA family protein
著者Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-07-21
公開日2021-07-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
8G5T
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BU of 8g5t by Molmil
Crystal structure of apo TnmK2
分子名称: TnmK2
著者Liu, Y.-C, Gui, C, Shen, B.
登録日2023-02-14
公開日2023-10-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.846 Å)
主引用文献Cofactorless oxygenases guide anthraquinone-fused enediyne biosynthesis.
Nat.Chem.Biol., 20, 2024
8G5U
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BU of 8g5u by Molmil
Crystal structure of TnmK2 complexed with TNM B
分子名称: TnmK2, methyl (2E)-3-[(1aS,11S,11aS,14Z,18R)-3,18-dihydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]but-2-enoate
著者Liu, Y.-C, Gui, C, Shen, B.
登録日2023-02-14
公開日2023-10-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.804 Å)
主引用文献Cofactorless oxygenases guide anthraquinone-fused enediyne biosynthesis.
Nat.Chem.Biol., 20, 2024
8G5S
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BU of 8g5s by Molmil
Crystal structure of apo TnmJ
分子名称: TnmJ
著者Liu, Y.-C, Li, G, Gui, C, Shen, B.
登録日2023-02-14
公開日2023-10-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Cofactorless oxygenases guide anthraquinone-fused enediyne biosynthesis.
Nat.Chem.Biol., 20, 2024
5LOF
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BU of 5lof by Molmil
Crystal structure of the MBP-MCL1 complex with highly selective and potent inhibitor of MCL1
分子名称: (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Dokurno, P, Kotschy, A, Szlavik, Z, Murray, J, Davidson, J, Csekei, M, Paczal, A, Szabo, Z, Sipos, S, Radics, G, Proszenyak, A, Balint, B, Ondi, L, Blasko, G, Robertson, A, Surgenor, A, Chen, I, Matassova, N, Smith, J, Pedder, C, Graham, C, Geneste, O.
登録日2016-08-09
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The MCL1 inhibitor S63845 is tolerable and effective in diverse cancer models.
Nature, 538, 2016

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