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4OML
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BU of 4oml by Molmil
Crystal structure of the intertwined dimer of the c-Src tyrosine kinase SH3 domain mutant Q128R
分子名称: DI(HYDROXYETHYL)ETHER, Proto-oncogene tyrosine-protein kinase Src, TRIETHYLENE GLYCOL
著者Camara-Artigas, A, Bacarizo, J.
登録日2014-01-27
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Electrostatic Effects in the Folding of the SH3 Domain of the c-Src Tyrosine Kinase: pH-Dependence in 3D-Domain Swapping and Amyloid Formation.
Plos One, 9, 2014
6L1L
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BU of 6l1l by Molmil
Apo-BacF structure from Bacillus subtillis
分子名称: Aminotransferase, PYRIDOXAL-5'-PHOSPHATE
著者Balasubramanian, G, Deshmukh, A.A.
登録日2019-09-29
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into the catalytic mechanism of Bacillus subtilis BacF.
Acta Crystallogr.,Sect.F, 76, 2020
6KZA
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BU of 6kza by Molmil
Crystal structure of the complex of the interaction domains of E. coli DnaB helicase and DnaC helicase loader
分子名称: DNA replication protein DnaC, Replicative DNA helicase
著者Nagata, K, Okada, A, Ohtsuka, J, Ohkuri, T, Akama, Y, Sakiyama, Y, Miyazaki, E, Horita, S, Katayama, T, Ueda, T, Tanokura, M.
登録日2019-09-23
公開日2019-11-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of the complex of the interaction domains of Escherichia coli DnaB helicase and DnaC helicase loader: structural basis implying a distortion-accumulation mechanism for the DnaB ring opening caused by DnaC binding.
J.Biochem., 167, 2020
4NXJ
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BU of 4nxj by Molmil
Crystal Structure of PF3D7_1475600, a bromodomain from Plasmodium Falciparum
分子名称: Bromodomain protein
著者Wernimont, A.K, Loppnau, P, Knapp, S, Fonseca, M, Brennan, P.E, Dong, A, Walker, J.R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, Structural Genomics Consortium (SGC)
登録日2013-12-09
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal Structure of PF3D7_1475600, a bromodomain from Plasmodium Falciparum
TO BE PUBLISHED
4M8U
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BU of 4m8u by Molmil
The Structure of MalL mutant enzyme V200A from Bacillus subtilus
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ...
著者Hobbs, J.K, Jiao, W, Easter, A.D, Parker, E.J, Schipper, L.A, Arcus, V.L.
登録日2013-08-13
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Change in heat capacity for enzyme catalysis determines temperature dependence of enzyme catalyzed rates.
Acs Chem.Biol., 8, 2013
6DE6
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BU of 6de6 by Molmil
2.1 A resolution structure of histamine dehydrogenase from Rhizobium sp. 4-9
分子名称: ADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Histamine dehydrogenase, ...
著者Goyal, P, Lovell, S, Richter, M.
登録日2018-05-11
公開日2019-05-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of Rhizobium sp. 4-9 histamine dehydrogenase and analysis of the electron transfer pathway to an abiological electron acceptor.
Arch.Biochem.Biophys., 2023
6DPY
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BU of 6dpy by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
分子名称: 4-{[(4R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid, Beta-lactamase
著者Singh, I.
登録日2018-06-09
公開日2018-07-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Ultra-large library docking for discovering new chemotypes.
Nature, 566, 2019
6DX9
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Crystal structure of chalcone synthase from Equisetum arvense
分子名称: Chalcone synthase
著者Weng, J.K, Liou, G, Chiang, Y.C, Wang, Y.
登録日2018-06-28
公開日2018-10-17
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mechanistic basis for the evolution of chalcone synthase catalytic cysteine reactivity in land plants.
J. Biol. Chem., 293, 2018
6E06
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Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine triphosphate solved by precipitant-ligand exchange (crystals grown in citrate precipitant)
分子名称: ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
登録日2018-07-06
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Precipitant-ligand exchange technique reveals the ADP binding mode in Mycobacterium tuberculosis dethiobiotin synthetase.
Acta Crystallogr D Struct Biol, 74, 2018
6E05
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BU of 6e05 by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine triphosphate solved by precipitant-ligand exchange (crystals grown in sulfate precipitant)
分子名称: ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
登録日2018-07-06
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Precipitant-ligand exchange technique reveals the ADP binding mode in Mycobacterium tuberculosis dethiobiotin synthetase.
Acta Crystallogr D Struct Biol, 74, 2018
6EA2
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BU of 6ea2 by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6h) and catalytic zinc ion
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
著者Drinkwater, N, McGowan, S.
登録日2018-08-02
公開日2018-12-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
6E6J
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BU of 6e6j by Molmil
BRD2_Bromodomain2 complex with inhibitor 744
分子名称: Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
著者Longenecker, K.L, Park, C.H, Bigelow, L.
登録日2018-07-25
公開日2019-07-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer.
Nature, 578, 2020
6E6S
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BU of 6e6s by Molmil
1.45 A resolution structure of the C-terminally truncated [2Fe-2S] ferredoxin (Bfd) R26E/K46Y mutant from Pseudomonas aeruginosa
分子名称: Bacterioferritin-associated ferredoxin, FE2/S2 (INORGANIC) CLUSTER
著者Lovell, S, Wijerathne, H, Battaile, K.P, Yao, H, Wang, Y, Rivera, M.
登録日2018-07-25
公開日2018-09-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Bfd, a New Class of [2Fe-2S] Protein That Functions in Bacterial Iron Homeostasis, Requires a Structural Anion Binding Site.
Biochemistry, 57, 2018
6EAA
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BU of 6eaa by Molmil
X-ray crystal structure of Pf-M1 in complex with inhibitor (6i) and catalytic zinc ion
分子名称: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
著者Drinkwater, N, McGowan, S.
登録日2018-08-02
公開日2018-12-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
4WEJ
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BU of 4wej by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted allyl monocarbam
分子名称: (3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3
著者Ferguson, A.D.
登録日2014-09-10
公開日2015-04-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.045 Å)
主引用文献SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3.
Acs Med.Chem.Lett., 6, 2015
3WS3
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BU of 3ws3 by Molmil
Crystal Structure of H-2D in complex with an insulin derived peptide
分子名称: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ...
著者Kumar, P.R, Mukherjee, G, Samanta, D, DiLorenzo, T.P, Almo, S.C, Immune Function Network, New York Structural Genomics Research Consortium (NYSGRC)
登録日2014-02-28
公開日2014-03-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.335 Å)
主引用文献Compensatory mechanisms allow undersized anchor-deficient class I MHC ligands to mediate pathogenic autoreactive T cell responses
J. Immunol., 193, 2014
3RZA
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BU of 3rza by Molmil
Crystal structure of a tripeptidase (SAV1512) from staphylococcus aureus subsp. aureus mu50 at 2.10 A resolution
分子名称: CALCIUM ION, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2011-05-11
公開日2011-06-08
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of a tripeptidase (SAV1512) from STAPHYLOCOCCUS AUREUS MU50 at 2.10 A resolution
To be published
7AAC
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BU of 7aac by Molmil
Crystal structure of the catalytic domain of human PARP1 in complex with veliparib
分子名称: (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Schimpl, M, Ogden, T.E.H, Yang, J.-C, Easton, L.E, Underwood, E, Rawlins, P.B, Johannes, J.W, Embrey, K.J, Neuhaus, D.
登録日2020-09-04
公開日2021-01-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.593 Å)
主引用文献Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition.
Nucleic Acids Res., 49, 2021
7AAD
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BU of 7aad by Molmil
Crystal structure of the catalytic domain of human PARP1 in complex with olaparib
分子名称: 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Schimpl, M, Ogden, T.E.H, Yang, J.-C, Easton, L.E, Underwood, E, Rawlins, P.B, Johannes, J.W, Embrey, K.J, Neuhaus, D.
登録日2020-09-04
公開日2021-01-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition.
Nucleic Acids Res., 49, 2021
7AAX
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BU of 7aax by Molmil
Crystal structure of MerTK kinase domain in complex with LDC1267
分子名称: CHLORIDE ION, Tyrosine-protein kinase Mer, ~{N}-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-4-ethoxy-1-(4-fluoranyl-2-methyl-phenyl)pyrazole-3-carboxamide
著者Schimpl, M, Pflug, A, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J.
登録日2020-09-05
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding.
Biochem.J., 477, 2020
7AB0
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BU of 7ab0 by Molmil
Apo crystal structure of the MerTK kinase domain
分子名称: CHLORIDE ION, Tyrosine-protein kinase Mer
著者Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J.
登録日2020-09-05
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding.
Biochem.J., 477, 2020
7A8G
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BU of 7a8g by Molmil
rsGreen0.7-K206A-H148G in the green-on state
分子名称: Green fluorescent protein, TRIETHYLENE GLYCOL
著者De Zitter, E, Dedecker, P, Van Meervelt, L.
登録日2020-08-30
公開日2021-02-17
最終更新日2021-05-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.
Angew.Chem.Int.Ed.Engl., 60, 2021
7A86
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rsGreen0.7-K206A-F145L partially in the green-off state
分子名称: Green fluorescent protein, TRIETHYLENE GLYCOL
著者De Zitter, E, Dedecker, P, Van Meervelt, L.
登録日2020-08-30
公開日2021-02-17
最終更新日2021-05-05
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.
Angew.Chem.Int.Ed.Engl., 60, 2021
7A7O
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BU of 7a7o by Molmil
rsGreen0.7-K206A in the green-on state
分子名称: Green fluorescent protein
著者De Zitter, E, Dedecker, P, Van Meervelt, L.
登録日2020-08-30
公開日2021-02-17
最終更新日2021-05-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.
Angew.Chem.Int.Ed.Engl., 60, 2021
7A8O
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rsGreen0.7-K206A-N205S in the green-on state
分子名称: 1,2-ETHANEDIOL, Green fluorescent protein
著者De Zitter, E, Dedecker, P, Van Meervelt, L.
登録日2020-08-30
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.
Angew.Chem.Int.Ed.Engl., 60, 2021

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