5XGW
 
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5H3H
 | | Esterase (EaEST) from Exiguobacterium antarcticum | | Descriptor: | Abhydrolase domain-containing protein, ETHANEPEROXOIC ACID | | Authors: | Lee, J.H, Lee, C.W. | | Deposit date: | 2016-10-24 | | Release date: | 2017-01-11 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure and Functional Characterization of an Esterase (EaEST) from Exiguobacterium antarcticum.
Plos One, 12, 2017
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5H1Z
 | | CYP153D17 from Sphingomonas sp. PAMC 26605 | | Descriptor: | DODECANE, PROTOPORPHYRIN IX CONTAINING FE, putative CYP alkane hydroxylase CYP153D17 | | Authors: | Lee, C.W, Lee, J.H. | | Deposit date: | 2016-10-13 | | Release date: | 2017-01-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal Structure of a Putative Cytochrome P450 Alkane Hydroxylase (CYP153D17) from Sphingomonas sp. PAMC 26605 and Its Conformational Substrate Binding
Int J Mol Sci, 17, 2016
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6J10
 | | Ciclopirox inhibits Hepatitis B Virus secretion by blocking capsid assembly | | Descriptor: | 6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one, Capsid protein | | Authors: | Park, S, Jin, M.S, Cho, Y, Kang, J, Kim, S, Park, M, Park, H, Kim, J, Park, S, Hwang, J, Kim, Y, Kim, Y.J. | | Deposit date: | 2018-12-27 | | Release date: | 2019-04-17 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Ciclopirox inhibits Hepatitis B Virus secretion by blocking capsid assembly.
Nat Commun, 10, 2019
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6A4E
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6A4A
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6A4F
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5WDE
 | | Crystal structure of the KIFC3 motor domain in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIFC3, MAGNESIUM ION, ... | | Authors: | Shen, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-07-05 | | Release date: | 2017-08-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein.
Sci Rep, 7, 2017
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6VTX
 | | Crystal structure of human KLF4 zinc finger DNA binding domain in complex with NANOG DNA | | Descriptor: | DNA (5'-D(*AP*GP*GP*GP*GP*GP*TP*GP*TP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*AP*CP*AP*CP*CP*CP*CP*CP*T)-3'), Krueppel-like factor 4, ... | | Authors: | Sharma, R, Sharma, S, Choi, K.J, Ferreon, A.C.M, Ferreon, J.C, Sankaran, B, MacKenzie, K.R, Kim, C. | | Deposit date: | 2020-02-13 | | Release date: | 2021-09-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Liquid condensation of reprogramming factor KLF4 with DNA provides a mechanism for chromatin organization.
Nat Commun, 12, 2021
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6A4D
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6AGQ
 | | Acetyl xylan esterase from Paenibacillus sp. R4 | | Descriptor: | ZINC ION, acetyl xylan esterase | | Authors: | Park, S, Lee, C.W, Lee, J.H. | | Deposit date: | 2018-08-13 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure and functional characterization of a cold-active acetyl xylan esterase (PbAcE) from psychrophilic soil microbe Paenibacillus sp.
PLoS ONE, 13, 2018
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6CZH
 | | Structure of a redesigned beta barrel, mFAP0, bound to DFHBI | | Descriptor: | (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP0 | | Authors: | Doyle, L.A, Stoddard, B.L. | | Deposit date: | 2018-04-09 | | Release date: | 2018-09-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
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6CZI
 | | Structure of a redesigned beta barrel, mFAP1, bound to DFHBI | | Descriptor: | (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP1 | | Authors: | Doyle, L.A, Stoddard, B.L. | | Deposit date: | 2018-04-09 | | Release date: | 2018-09-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
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6C8C
 | | Chimeric Pol kappa RIR Rev1 C-terminal domain in complex with JHRE06 | | Descriptor: | 8-chloro-2-[(2,4-dichlorophenyl)amino]-3-(3-methylbutanoyl)-5-nitroquinolin-4(1H)-one, Chimeric protein of the Pol Kappa RIR helix and the Rev1 C-terminal domain | | Authors: | Najeeb, J, Zhou, P. | | Deposit date: | 2018-01-24 | | Release date: | 2019-06-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A Small Molecule Targeting Mutagenic Translesion Synthesis Improves Chemotherapy.
Cell, 178, 2019
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6CZG
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6CZJ
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3BOR
 | | Crystal structure of the DEADc domain of human translation initiation factor 4A-2 | | Descriptor: | Human initiation factor 4A-II | | Authors: | Dimov, S, Hong, B, Tempel, W, MacKenzie, F, Karlberg, T, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-12-17 | | Release date: | 2008-01-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Comparative Structural Analysis of Human DEAD-Box RNA Helicases.
Plos One, 5, 2010
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6C59
 | | Chimeric Pol kappa RIR Rev1 C-terminal domain | | Descriptor: | ACETATE ION, Chimeric Pol kappa RIR Rev1 C-terminal domain | | Authors: | Wojtaszek, J.L, Zhou, P. | | Deposit date: | 2018-01-15 | | Release date: | 2019-06-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | A Small Molecule Targeting Mutagenic Translesion Synthesis Improves Chemotherapy.
Cell, 178, 2019
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6IQ6
 | | Crystal structure of GAPDH | | Descriptor: | (2Z)-4-methoxy-4-oxobut-2-enoic acid, Glyceraldehyde-3-phosphate dehydrogenase | | Authors: | Park, J.B, Park, H.Y. | | Deposit date: | 2018-11-06 | | Release date: | 2019-08-28 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structural Study of Monomethyl Fumarate-Bound Human GAPDH.
Mol.Cells, 42, 2019
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6JQS
 | | Structure of Transcription factor, GerE | | Descriptor: | DNA-binding response regulator | | Authors: | Lee, J.H, Lee, C.W. | | Deposit date: | 2019-04-01 | | Release date: | 2019-04-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystal structure of a transcription factor, GerE (PaGerE), from spore-forming bacterium Paenisporosarcina sp. TG-14.
Biochem.Biophys.Res.Commun., 513, 2019
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7TTE
 | | Tubulin-RB3_SLD in complex with compound 12j | | Descriptor: | 4-[2-(cyclopropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | White, S.W, Yun, M. | | Deposit date: | 2022-02-01 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo.
Acs Pharmacol Transl Sci, 6, 2023
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7TTD
 | | Tubulin-RB3_SLD in complex with compound 12e | | Descriptor: | 7-methoxy-4-[2-(morpholin-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | White, S.W, Yun, M. | | Deposit date: | 2022-02-01 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo.
Acs Pharmacol Transl Sci, 6, 2023
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7TTF
 | | Tubulin-RB3_SLD in complex with compound 12k | | Descriptor: | 7-methoxy-4-[2-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | White, S.W, Yun, M. | | Deposit date: | 2022-02-01 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo.
Acs Pharmacol Transl Sci, 6, 2023
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8TZI
 | | Human equilibrative nucleoside transporter-1, JH-ENT-01 bound | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[4-[3-[3,4-dimethoxy-5-[[4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]methoxy]phenyl]carbonyloxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate, Equilibrative nucleoside transporter 1 | | Authors: | Wright, N.J, Lee, S.Y. | | Deposit date: | 2023-08-26 | | Release date: | 2024-08-28 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design of an equilibrative nucleoside transporter subtype 1 inhibitor for pain relief.
Nat Commun, 15, 2024
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4JDS
 | | SETD7 in complex with inhibitor PF-5426 and S-adenosyl-methionine | | Descriptor: | Histone-lysine N-methyltransferase SETD7, N-[(2R)-3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-8-fluoro-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, S-ADENOSYLMETHIONINE, ... | | Authors: | Dong, A, Wu, H, Zeng, H, Park, H, El Bakkouri, M, Barsyte, D, Vedadi, M, Tatlock, J, Owen, D, Bunnage, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-02-25 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | SETD7 in complex with inhibitor PF-5426 and S-adenosyl-methionine
to be published
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