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4NSP
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BU of 4nsp by Molmil
Crystal structure of human ENDOV
Descriptor: Endonuclease V
Authors:Xie, W, Zhang, Z, Hao, Z.
Deposit date:2013-11-28
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of human endonuclease V as an inosine-specific ribonuclease.
Acta Crystallogr.,Sect.D, 70, 2014
6ING
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BU of 6ing by Molmil
A complex structure of H25A mutant of glycosyltransferase with UDP
Descriptor: GLYCEROL, UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE
Authors:Zhu, X, Naismith, J.H.
Deposit date:2018-10-25
Release date:2019-07-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
6INH
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BU of 6inh by Molmil
A glycosyltransferase with UDP and the substrate
Descriptor: 1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose, GLYCEROL, UDP-glycosyltransferase 76G1, ...
Authors:Zhu, X.
Deposit date:2018-10-25
Release date:2019-07-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
4KYH
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BU of 4kyh by Molmil
Crystal structure of mouse glyoxalase I complexed with zopolrestat
Descriptor: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Lactoylglutathione lyase, ZINC ION
Authors:Zhai, J, Yuan, M, Zhang, L, Chen, Y, Zhang, H, Chen, S, Zhao, Y.
Deposit date:2013-05-29
Release date:2013-08-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Zopolrestat as a human glyoxalase I inhibitor and its structural basis.
Chemmedchem, 8, 2013
4NFX
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BU of 4nfx by Molmil
Structure and atypical hydrolysis mechanism of the Nudix hydrolase Orf153 (YmfB) from Escherichia coli
Descriptor: Putative Nudix hydrolase ymfB
Authors:Hong, M.K, Kim, J.K, Kang, L.W.
Deposit date:2013-11-01
Release date:2014-05-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Divalent metal ion-based catalytic mechanism of the Nudix hydrolase Orf153 (YmfB) from Escherichia coli
Acta Crystallogr.,Sect.D, 70, 2014
6INF
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BU of 6inf by Molmil
a glycosyltransferase complex with UDP
Descriptor: UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE
Authors:Zhu, X, Yang, T, Naismith, J.H.
Deposit date:2018-10-25
Release date:2019-07-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
4N0U
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BU of 4n0u by Molmil
Ternary complex between Neonatal Fc receptor, serum albumin and Fc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Ig gamma-1 chain C region, ...
Authors:Oganesyan, V, Wu, H, Dall'Acqua, W.F.
Deposit date:2013-10-02
Release date:2014-02-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural Insights into Neonatal Fc Receptor-based Recycling Mechanisms.
J.Biol.Chem., 289, 2014
4HLR
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BU of 4hlr by Molmil
Structural Determinants of Trimerization Specificity in HIV-1 gp41 Protein
Descriptor: Gp41, HEXANE-1,6-DIOL
Authors:Liu, J, Lu, M.
Deposit date:2012-10-17
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structural Determinants of Trimerization Specificity in HIV-1 gp41 Protein
To be Published
8HDS
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BU of 8hds by Molmil
Cyanophage Pam3 portal-adaptor
Descriptor: Pam3 adaptor protein, Pam3 portal protein
Authors:Yang, F, Jiang, Y.L, Zhou, C.Z.
Deposit date:2022-11-06
Release date:2023-01-18
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:Fine structure and assembly pattern of a minimal myophage Pam3.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HDW
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BU of 8hdw by Molmil
Cyanophage Pam3 Sheath-tube
Descriptor: Pam3 sheath protein, pam3 tube
Authors:Yang, F, Jiang, Y.L, Zhou, C.Z.
Deposit date:2022-11-06
Release date:2023-01-18
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Fine structure and assembly pattern of a minimal myophage Pam3.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HDT
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BU of 8hdt by Molmil
Cyanophage Pam3 capsid asymmetric unit
Descriptor: Cement, Major capsid
Authors:Yang, F, Jiang, Y.L, Zhou, C.Z.
Deposit date:2022-11-06
Release date:2023-01-18
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Fine structure and assembly pattern of a minimal myophage Pam3.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HDR
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BU of 8hdr by Molmil
Cyanophage Pam3 neck
Descriptor: Pam3 adaptor protein, Pam3 connector protein, Pam3 sheath protein, ...
Authors:Yang, F, Jiang, Y.L, Zhou, C.Z.
Deposit date:2022-11-06
Release date:2023-02-01
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:Fine structure and assembly pattern of a minimal myophage Pam3.
Proc.Natl.Acad.Sci.USA, 120, 2023
2YPT
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BU of 2ypt by Molmil
Crystal structure of the human nuclear membrane zinc metalloprotease ZMPSTE24 mutant (E336A) in complex with a synthetic CSIM tetrapeptide from the C-terminus of prelamin A
Descriptor: CAAX PRENYL PROTEASE 1 HOMOLOG, PRELAMIN-A/C, ZINC ION
Authors:Pike, A.C.W, Dong, Y.Y, Quigley, A, Dong, L, Savitsky, P, Cooper, C.D.O, Chaikuad, A, Goubin, S, Shrestha, L, Li, Q, Mukhopadhyay, S, Yang, J, Xia, X, Shintre, C.A, Barr, A.J, Berridge, G, Chalk, R, Bray, J.E, von Delft, F, Bullock, A, Bountra, C, Arrowsmith, C.H, Edwards, A, Burgess-Brown, N, Carpenter, E.P.
Deposit date:2012-11-01
Release date:2012-12-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:The Structural Basis of Zmpste24-Dependent Laminopathies.
Science, 339, 2013
7WJS
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BU of 7wjs by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13157
Descriptor: 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL
Authors:Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-01-07
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WKY
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BU of 7wky by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13153
Descriptor: 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL
Authors:Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-01-12
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WNI
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BU of 7wni by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13158
Descriptor: 1,2-ETHANEDIOL, 7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-01-18
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WMU
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BU of 7wmu by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13146
Descriptor: 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, ~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide
Authors:Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-01-17
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WN5
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BU of 7wn5 by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13142
Descriptor: 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, POTASSIUM ION, ...
Authors:Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-01-17
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WLN
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BU of 7wln by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13153
Descriptor: 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-01-13
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WNA
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BU of 7wna by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13120
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Isoform 4 of Bromodomain-containing protein 2, ...
Authors:Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-01-17
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WMQ
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BU of 7wmq by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13157
Descriptor: 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, FORMIC ACID, GLYCEROL, ...
Authors:Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2022-01-16
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
8HLT
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BU of 8hlt by Molmil
The co-crystal structure of DYRK2 with YK-2-99B
Descriptor: (6-{[(4P)-4-(1,3-benzothiazol-5-yl)-5-fluoropyrimidin-2-yl]amino}pyridin-3-yl)(piperazin-1-yl)methanone, Dual specificity tyrosine-phosphorylation-regulated kinase 2
Authors:Shen, H.T, Xiao, Y.B, Yuan, K, Yang, P, Li, Q.N.
Deposit date:2022-12-01
Release date:2023-12-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of Potent DYRK2 Inhibitors with High Selectivity, Great Solubility, and Excellent Safety Properties for the Treatment of Prostate Cancer.
J.Med.Chem., 66, 2023
7VD4
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BU of 7vd4 by Molmil
Crystal structure of BPTF-BRD with ligand TP248 bound
Descriptor: 6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
Authors:Lu, T, Lu, H.B.
Deposit date:2021-09-06
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85659146 Å)
Cite:Discovery of a highly potent CECR2 bromodomain inhibitor with 7H-pyrrolo[2,3-d] pyrimidine scaffold.
Bioorg.Chem., 123, 2022
7W1I
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BU of 7w1i by Molmil
Crystal structure of carboxylesterase mutant from Thermobifida fusca with C8X and C9C
Descriptor: 4-(2-hydroxyethyloxycarbonyl)benzoic acid, Carboxylesterase, bis(2-hydroxyethyl) benzene-1,4-dicarboxylate
Authors:Han, X, Gerlis, H, Li, Z, Gao, J, Wei, R, Liu, W.
Deposit date:2021-11-19
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural Insights into (Tere)phthalate-Ester Hydrolysis by a Carboxylesterase and Its Role in Promoting PET Depolymerization
Acs Catalysis, 12, 2022
7W1J
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BU of 7w1j by Molmil
Crystal structure of carboxylesterase from Thermobifida fusca with J1K
Descriptor: 4-(2-hydroxyethylcarbamoyl)benzoic acid, Carboxylesterase
Authors:Han, X, Gerlis, H, Li, Z, Gao, J, Wei, R, Liu, W.
Deposit date:2021-11-19
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural Insights into (Tere)phthalate-Ester Hydrolysis by a Carboxylesterase and Its Role in Promoting PET Depolymerization
Acs Catalysis, 12, 2022

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