5DGB
 
 | | CRYSTAL STRUCTURE OF HUMAN DNA POLYMERASE ETA EXTENDING AN 1,N6-ETHENODEOXYADENOSINE : dA PAIR BY INSERTING dTMPNPP OPPOSITE TEMPLATE dA | | Descriptor: | 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*A)-3'), DNA (5'-D(*CP*AP*TP*AP*(EDA)P*TP*GP*AP*CP*GP*CP*T)-3'), ... | | Authors: | Patra, A, Egli, M. | | Deposit date: | 2015-08-27 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural and Kinetic Analysis of Miscoding Opposite the DNA Adduct 1,N6-Ethenodeoxyadenosine by Human Translesion DNA Polymerase eta.
J.Biol.Chem., 291, 2016
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5DG7
 | | CRYSTAL STRUCTURE OF HUMAN DNA POLYMERASE ETA INSERTING dTTP ACROSS A DNA TEMPLATE CONTAINING 1,N6-ETHENODEOXYADENOSINE LESION | | Descriptor: | CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*(EDA)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ... | | Authors: | Patra, A, Egli, M. | | Deposit date: | 2015-08-27 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structural and Kinetic Analysis of Miscoding Opposite the DNA Adduct 1,N6-Ethenodeoxyadenosine by Human Translesion DNA Polymerase eta.
J.Biol.Chem., 291, 2016
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5HDZ
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5HD0
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5HDU
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5I1V
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5HE7
 | | BACE-1 in complex with (4aR,7aS)-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one | | Descriptor: | (2E,4aR,7aS)-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one, Beta-secretase 1 | | Authors: | Orth, P. | | Deposit date: | 2016-01-05 | | Release date: | 2016-03-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
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8X73
 | | Crystal structure of Peroxiredoxin I in complex with compound 19-069 | | Descriptor: | Peroxiredoxin-1, methyl (2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]-3-oxidanyl-propanoate | | Authors: | Zhang, H, Luo, C. | | Deposit date: | 2023-11-22 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Discovery of a Novel Orally Bioavailable FLT3-PROTAC Degrader for Efficient Treatment of Acute Myeloid Leukemia and Overcoming Resistance of FLT3 Inhibitors.
J.Med.Chem., 67, 2024
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8X71
 | | Crystal structure of Peroxiredoxin I in complex with compound 19-064 | | Descriptor: | Peroxiredoxin-1, methyl 3-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]oxetane-3-carboxylate | | Authors: | Zhang, H, Luo, C. | | Deposit date: | 2023-11-22 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Discovery of a Novel Orally Bioavailable FLT3-PROTAC Degrader for Efficient Treatment of Acute Myeloid Leukemia and Overcoming Resistance of FLT3 Inhibitors.
J.Med.Chem., 67, 2024
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5I1W
 | | Crystal structure of CrmK, a flavoenzyme involved in the shunt product recycling mechanism in caerulomycin biosynthesis | | Descriptor: | 4-hydroxy[2,2'-bipyridine]-6-carbaldehyde, 6-(hydroxymethyl)[2,2'-bipyridin]-4-ol, CrmK, ... | | Authors: | Picard, M.-E, Barma, J, Shi, R. | | Deposit date: | 2016-02-07 | | Release date: | 2017-02-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Biochemical and structural insights into flavoenzyme CrmK reveals a shunt product recycling mechanism in caerulomycin biosynthesis
to be published
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5DG9
 | | CRYSTAL STRUCTURE OF HUMAN DNA POLYMERASE ETA INSERTING dGMPNPP ACROSS A DNA TEMPLATE CONTAINING 1,N6-ETHENODEOXYADENOSINE LESION | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*(EDA)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ... | | Authors: | Patra, A, Egli, M. | | Deposit date: | 2015-08-27 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and Kinetic Analysis of Miscoding Opposite the DNA Adduct 1,N6-Ethenodeoxyadenosine by Human Translesion DNA Polymerase eta.
J.Biol.Chem., 291, 2016
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5EM4
 | | Structure of CYP2B4 F244W in a ligand free conformation | | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Shah, M.B, Stout, C.D, Halpert, J.R. | | Deposit date: | 2015-11-05 | | Release date: | 2016-03-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Coumarin Derivatives as Substrate Probes of Mammalian Cytochromes P450 2B4 and 2B6: Assessing the Importance of 7-Alkoxy Chain Length, Halogen Substitution, and Non-Active Site Mutations.
Biochemistry, 55, 2016
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8IQ0
 | | Crystal structure of hydrogen sulfide-bound superoxide dismutase in oxidized state | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ... | | Authors: | Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C. | | Deposit date: | 2023-03-15 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme.
Cell Rep, 42, 2023
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8IQ1
 | | Crystal structure of hydrogen sulfide-bound superoxide dismutase in reduced state | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ... | | Authors: | Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C. | | Deposit date: | 2023-03-15 | | Release date: | 2023-09-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme.
Cell Rep, 42, 2023
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5E0E
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4CGR
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6DUV
 | | Crystal structure of the second bromodomain of human BRD4 in complex with MS417 inhibitor | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate | | Authors: | Babault, N, Zhou, M.M. | | Deposit date: | 2018-06-22 | | Release date: | 2019-06-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Role of Bound Water Molecules in Differential Recognition of Di-Acetylated Histone Peptides by the BRD4 Bromodomains
To be published
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5H19
 | | EED in complex with PRC2 allosteric inhibitor EED162 | | Descriptor: | 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | Deposit date: | 2016-10-08 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
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7L97
 | | Crystal structure of STAMBPL1 in complex with an engineered binder | | Descriptor: | 1,2-ETHANEDIOL, AMSH-like protease, SULFATE ION, ... | | Authors: | Guo, Y, Dong, A, Hou, F, Li, Y, Zhang, W, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-01-02 | | Release date: | 2021-08-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural and functional characterization of ubiquitin variant inhibitors for the JAMM-family deubiquitinases STAMBP and STAMBPL1.
J.Biol.Chem., 297, 2021
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4DUR
 | | The X-ray Crystal Structure of Full-Length type II Human Plasminogen | | Descriptor: | ACETATE ION, BICARBONATE ION, CHLORIDE ION, ... | | Authors: | Law, R.H.P, Caradoc-Davies, T, Whisstock, J.C. | | Deposit date: | 2012-02-22 | | Release date: | 2012-03-28 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | The X-ray crystal structure of full-length human plasminogen
Cell Rep, 1, 2012
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4DUU
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3KR3
 | | Crystal structure of IGF-II antibody complex | | Descriptor: | 1,2-ETHANEDIOL, Insulin-like growth factor II, antibody-Fab (heavy chain), ... | | Authors: | Peat, T.S, Newman, J, Adams, T.E. | | Deposit date: | 2009-11-17 | | Release date: | 2010-06-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A human monoclonal antibody against insulin-like growth factor-II blocks the growth of human hepatocellular carcinoma cell lines in vitro and in vivo.
Mol.Cancer Ther., 9, 2010
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7XTV
 | | The structure of MHET-bound TfCut S130A | | Descriptor: | 4-(2-hydroxyethyloxycarbonyl)benzoic acid, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2022-05-18 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
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7XTU
 | | The structure of TfCut S130A | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2022-05-18 | | Release date: | 2023-03-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
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7XTS
 | | The apo structure of the engineered TfCut S130A | | Descriptor: | SODIUM ION, alpha/beta hydrolase | | Authors: | Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2022-05-18 | | Release date: | 2023-03-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
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