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6ON7
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Crystal Structure of Apo Domain-Swapped Dimer Q108K:T51D:A28C:L36C Mutant of Human Cellular Retinol Binding Protein II
分子名称: Retinol-binding protein 2
著者Ghanbarpour, A, Geiger, J.
登録日2019-04-20
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
7D75
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X-ray structure of a domain-swapped dimer of Monellin with YEDKG loop-1 mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, SULFATE ION, ...
著者Manjula, R, Ramaswamy, S, Gosavi, S.
登録日2020-10-03
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Domain swapped structure of Monellin Loop1-mutant
To Be Published
7XNZ
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Native cystathionine beta-synthase of Mycobacterium tuberculosis.
分子名称: PYRIDOXAL-5'-PHOSPHATE, Putative cystathionine beta-synthase Rv1077
著者Bandyopadhyay, P, Pramanick, I, Biswas, R, Sabarinath, P.S, Sreedharan, S, Singh, S, Rajmani, R, Laxman, S, Dutta, S, Singh, A.
登録日2022-04-30
公開日2022-05-25
最終更新日2022-12-07
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献S-Adenosylmethionine-responsive cystathionine beta-synthase modulates sulfur metabolism and redox balance in Mycobacterium tuberculosis.
Sci Adv, 8, 2022
7XOH
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Cystathionine beta-synthase of Mycobacterium tuberculosis in the presence of S-adenosylmethionine.
分子名称: PYRIDOXAL-5'-PHOSPHATE, Putative cystathionine beta-synthase Rv1077
著者Bandyopadhyay, P, Pramanick, I, Biswas, R, Sabarinath, P.S, Sreedharan, S, Singh, S, Rajmani, R, Laxman, S, Dutta, S, Singh, A.
登録日2022-05-01
公開日2022-05-25
最終更新日2022-12-07
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献S-Adenosylmethionine-responsive cystathionine beta-synthase modulates sulfur metabolism and redox balance in Mycobacterium tuberculosis.
Sci Adv, 8, 2022
7XOY
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Cystathionine beta-synthase of Mycobacterium tuberculosis in the presence of S-adenosylmethionine and serine.
分子名称: Putative cystathionine beta-synthase Rv1077, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
著者Bandyopadhyay, P, Pramanick, I, Biswas, R, Sabarinath, P.S, Sreedharan, S, Singh, S, Rajmani, R, Laxman, S, Dutta, S, Singh, A.
登録日2022-05-01
公開日2022-05-25
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (4.25 Å)
主引用文献S-Adenosylmethionine-responsive cystathionine beta-synthase modulates sulfur metabolism and redox balance in Mycobacterium tuberculosis.
Sci Adv, 8, 2022
7LWE
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BU of 7lwe by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-7629
分子名称: ACETATE ION, B-cell lymphoma 6 protein, CHLORIDE ION, ...
著者Kuntz, D.A, Prive, G.G.
登録日2021-03-01
公開日2022-03-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
7LWG
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Crystal structure of the BCL6 BTB domain in complex with OICR-12694
分子名称: 5-{(5S)-1-[2-({3-chloro-6-[(2S)-2,4-dimethylpiperazin-1-yl]-2-fluoropyridin-4-yl}amino)-2-oxoethyl]-4-oxo-4,6,7,8-tetrahydro-1H-dipyrrolo[1,2-a:2',3'-d]pyrimidin-3-yl}-3,4-difluoro-2-hydroxybenzamide, B-cell lymphoma 6 protein, GLYCEROL, ...
著者Kuntz, D.A, Prive, G.G.
登録日2021-03-01
公開日2022-03-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
7LWF
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Crystal structure of the BCL6 BTB domain in complex with OICR-9320
分子名称: B-cell lymphoma 6 protein, GLYCEROL, N-(3-chloropyridin-4-yl)-2-[5-(3-cyano-4-hydroxyphenyl)-3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide
著者Kuntz, D.A, Prive, G.G.
登録日2021-03-01
公開日2022-03-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
7LZS
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Crystal structure of the BCL6 BTB domain in complex with OICR-11029
分子名称: 3-chloro-5-{7-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide, B-cell lymphoma 6 protein, DIMETHYL SULFOXIDE, ...
著者Kuntz, D.A, Prive, G.G.
登録日2021-03-10
公開日2022-03-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
8THI
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BU of 8thi by Molmil
Cryo-EM structure of the Tripartite ATP-independent Periplasmic (TRAP) transporter SiaQM from Haemophilus influenzae (parallel dimer)
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, SODIUM ION, Sialic acid TRAP transporter permease protein SiaT
著者Davies, J.S, Currie, M.C, Dobson, R.C.J, North, R.A.
登録日2023-07-16
公開日2023-11-22
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献Structural and biophysical analysis of a Haemophilus influenzae tripartite ATP-independent periplasmic (TRAP) transporter.
Elife, 12, 2024
8THJ
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BU of 8thj by Molmil
Cryo-EM structure of the Tripartite ATP-independent Periplasmic (TRAP) transporter SiaQM from Haemophilus influenzae (antiparallel dimer)
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, PHOSPHATIDYLETHANOLAMINE, SODIUM ION, ...
著者Davies, J.S, Currie, M.C, Dobson, R.C.J, North, R.A.
登録日2023-07-16
公開日2023-11-22
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Structural and biophysical analysis of a Haemophilus influenzae tripartite ATP-independent periplasmic (TRAP) transporter.
Elife, 12, 2024
7LZQ
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BU of 7lzq by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-4425
分子名称: B-cell lymphoma 6 protein, DIMETHYL SULFOXIDE, N-(3-chloropyridin-4-yl)-2-(5-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide
著者Kuntz, D.A, Prive, G.G.
登録日2021-03-10
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
1YGH
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BU of 1ygh by Molmil
HAT DOMAIN OF GCN5 FROM SACCHAROMYCES CEREVISIAE
分子名称: GLYCEROL, PROTEIN (TRANSCRIPTIONAL ACTIVATOR GCN5)
著者Trievel, R.C, Rojas, J.R, Sterner, D.E, Venkataramani, R, Wang, L, Zhou, J, Allis, C.D, Berger, S.L, Marmorstein, R.
登録日1999-05-27
公開日1999-08-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure and mechanism of histone acetylation of the yeast GCN5 transcriptional coactivator.
Proc.Natl.Acad.Sci.USA, 96, 1999
6E51
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BU of 6e51 by Molmil
Crystal structure of the apo domain-swapped dimer Q108K:K40L:T51W mutant of human cellular retinol binding protein II
分子名称: Retinol-binding protein 2
著者Ghanbarpour, A, Geiger, J.
登録日2018-07-19
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.256 Å)
主引用文献Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
6E50
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BU of 6e50 by Molmil
Crystal structure of the apo domain-swapped dimer Q108K:K40L:T51F mutant of human Cellular Retinol Binding Protein II
分子名称: ACETATE ION, Retinol-binding protein 2
著者Ghanbarpour, A, Geiger, J.
登録日2018-07-18
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.965 Å)
主引用文献Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
7S4S
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BU of 7s4s by Molmil
Crystal Structure of SARS-CoV-2 S receptor-binding domain (RBD) in complex CoV11 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CoV11 heavy chain, ...
著者Tolbert, W.D, Pazgier, M.
登録日2021-09-09
公開日2021-09-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The molecular basis of the neutralization breadth of the RBD-specific antibody CoV11.
Front Immunol, 14, 2023
6E5E
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BU of 6e5e by Molmil
Crystal structure of the apo domain-swapped dimer Q108K:T51D mutant of human cellular retinol binding protein II
分子名称: ACETATE ION, Retinol-binding protein 2
著者Ghanbarpour, A, Geiger, J.
登録日2018-07-20
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
6E5Q
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Crystal structure of the apo domain-swapped dimer Q108K:T51D:A28H mutant of human Cellular Retinol Binding Protein II
分子名称: ACETATE ION, Retinol-binding protein 2
著者Ghanbarpour, A, Geiger, J.
登録日2018-07-21
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
6E7M
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BU of 6e7m by Molmil
Crystal structure of the holo retinal-bound domain-swapped dimer Q108K:T51D:A28C mutant of human Cellular Retinol Binding Protein II
分子名称: ACETATE ION, GLYCEROL, RETINAL, ...
著者Ghanbarpour, A, Geiger, J.
登録日2018-07-26
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
6E5R
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BU of 6e5r by Molmil
Crystal structure of the apo domain-swapped dimer Q108K:T51D:A28C mutant of human Cellular Retinol Binding Protein II
分子名称: ACETATE ION, GLYCEROL, Retinol-binding protein 2
著者Ghanbarpour, A, Geiger, J.
登録日2018-07-22
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.592 Å)
主引用文献Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
6E5S
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BU of 6e5s by Molmil
Crystal structure of holo retinal-bound domain-swapped dimer Q108K:T51D mutant of human Cellular Retinol Binding Protein II
分子名称: RETINAL, Retinol-binding protein 2
著者Nosrati, M, Ghanbarpour, A, Geiger, J.
登録日2018-07-22
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.061 Å)
主引用文献Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
6LVV
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N, N-dimethylformamidase
分子名称: 1,2-ETHANEDIOL, FE (III) ION, N,N-dimethylformamidase large subunit, ...
著者Arya, C.K, Ramaswamy, S, Kutti, R.V, Gurunath, R.
登録日2020-02-05
公開日2020-08-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A 2-Tyr-1-carboxylate Mononuclear Iron Center Forms the Active Site of a Paracoccus Dimethylformamidase.
Angew.Chem.Int.Ed.Engl., 59, 2020
1BD8
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BU of 1bd8 by Molmil
STRUCTURE OF CDK INHIBITOR P19INK4D
分子名称: P19INK4D CDK4/6 INHIBITOR
著者Baumgartner, R, Fernandez-Catalan, C, Winoto, A, Huber, R, Engh, R, Holak, T.A.
登録日1998-05-12
公開日1998-10-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of human cyclin-dependent kinase inhibitor p19INK4d: comparison to known ankyrin-repeat-containing structures and implications for the dysfunction of tumor suppressor p16INK4a.
Structure, 6, 1998
4X1G
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Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol and the pesticide trans-nonachlor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Ethinyl estradiol, ISOPROPYL ALCOHOL, ...
著者Delfosse, V, Huet, T, Bourguet, W.
登録日2014-11-24
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
8GMC
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CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 COMPLEXED WITH 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
分子名称: 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, SULFATE ION
著者Muckelbauer, J.K.
登録日2023-03-24
公開日2023-07-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of pyrrolo[2,1- f ][1,2,4]triazine-based inhibitors of adaptor protein 2-associated kinase 1 for the treatment of pain.
Med.Chem.Res., 2023

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