3EJ6
 
 | | Neurospora Crassa Catalase-3 Crystal Structure | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Catalase-3, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Diaz, A, Valdes, V.-J, Rudino-Pinera, E, Horjales, E, Hansberg, W. | | Deposit date: | 2008-09-17 | | Release date: | 2009-01-13 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Function Relationships in Fungal Large-Subunit Catalases
J.Mol.Biol., 386, 2008
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3LTU
 | | 5-SeMe-dU containing DNA 8mer | | Descriptor: | 5'-D(*GP*(UMS)P*GP*(T5S)P*AP*CP*AP*C)-3' | | Authors: | Sheng, J, Hassan, A.E.A, Zhang, W, Gan, J, Huang, Z. | | Deposit date: | 2010-02-16 | | Release date: | 2010-03-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Synthesis of Pyrimidine Modified Seleno-DNA as a Novel Approach to Antisense Candidate
Chemistryselect, 8, 2023
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4YYA
 | | The structure of hemagglutinin from a H6N1 influenza virus (A/Taiwan/2/2013) in complex with avian receptor analog 3'SLNLN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HA1, HA2, ... | | Authors: | Wang, F, Qi, J, Bi, Y, Zhang, W, Wang, M, Wang, M, Liu, J, Yan, J, Shi, Y, Gao, G.F. | | Deposit date: | 2015-03-23 | | Release date: | 2016-04-13 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.595 Å) | | Cite: | Structure of hemagglutinin from a H6N1 influenza virus (A/chicken/Taiwan/A2837/2013)
To Be Published
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4YYB
 | | The structure of hemagglutinin from a H6N1 influenza virus (A/Taiwan/2/2013) in complex with human receptor analog 6'SLNLN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HA1, HA2, ... | | Authors: | Wang, F, Qi, J, Bi, Y, Zhang, W, Wang, M, Wang, M, Liu, J, Yan, J, Shi, Y, Gao, G.F. | | Deposit date: | 2015-03-23 | | Release date: | 2016-04-13 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.609 Å) | | Cite: | Structure of hemagglutinin from a H6N1 influenza virus (A/Taiwan/2/2013) at 2.6 Angstroms resolution
To Be Published
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8CN0
 | | Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with Coenzyme A | | Descriptor: | COENZYME A, ZINC ION, histone acetyltransferase | | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | | Deposit date: | 2023-02-21 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with Coenzyme A
To Be Published
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8CNB
 | | Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with Coenzyme A | | Descriptor: | COENZYME A, ZINC ION, histone acetyltransferase | | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | | Deposit date: | 2023-02-22 | | Release date: | 2024-03-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.986 Å) | | Cite: | Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with Coenzyme A
To Be Published
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8CMZ
 | | Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with Coenzyme A | | Descriptor: | COENZYME A, ZINC ION, histone acetyltransferase | | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | | Deposit date: | 2023-02-21 | | Release date: | 2024-03-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.252 Å) | | Cite: | Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with Coenzyme A
To Be Published
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8CNA
 | | Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA | | Descriptor: | ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate, histone acetyltransferase | | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | | Deposit date: | 2023-02-22 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.463 Å) | | Cite: | Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
To Be Published
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8CND
 | | Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA | | Descriptor: | ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate, histone acetyltransferase | | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | | Deposit date: | 2023-02-22 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.972 Å) | | Cite: | Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
To Be Published
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3KQ8
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9KPN
 | | Crystal structure of KRAS-G12C in complex with Compound 20 (JAB-20) | | Descriptor: | 7-[2-azanyl-3,4,5,6-tetrakis(fluoranyl)phenyl]-6-chloranyl-1-(4-methyl-2-propan-2-yl-pyridin-3-yl)-2-oxidanylidene-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Li, S, Dang, C, Fan, X, Zhang, W, Wang, P, Qian, D, Wang, Y, Li, A. | | Deposit date: | 2024-11-23 | | Release date: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Design, Structure Optimization, and Preclinical Characterization of JAB-21822, a Covalent Inhibitor of KRAS G12C.
J.Med.Chem., 68, 2025
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9KPM
 | | Crystal structure of KRAS-G12C in complex with compound 16 (JAB-16) | | Descriptor: | 7-[2-azanyl-3,5-bis(chloranyl)-6-fluoranyl-phenyl]-6-chloranyl-1-(4-methyl-2-propan-2-yl-pyridin-3-yl)-2-oxidanylidene-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | | Authors: | Li, S, Dang, C, Fan, X, Zhang, W, Wang, P, Qian, D, Wang, Y, Li, A. | | Deposit date: | 2024-11-23 | | Release date: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Design, Structure Optimization, and Preclinical Characterization of JAB-21822, a Covalent Inhibitor of KRAS G12C.
J.Med.Chem., 68, 2025
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9ERY
 | | Co-crystal strucutre of PD-L1 with low molecular weight inhibitor | | Descriptor: | 5-[[5-[[2-[bis(fluoranyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]methoxy]-2-[(2-hydroxyethylamino)methyl]phenoxy]methyl]pyridine-3-carbonitrile, Programmed cell death 1 ligand 1, SULFATE ION | | Authors: | Plewka, J, Magiera-Mularz, K, Zhang, W. | | Deposit date: | 2024-03-25 | | Release date: | 2024-07-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design, synthesis, and evaluation of antitumor activity of 2-arylmethoxy-4-(2-fluoromethyl-biphenyl-3-ylmethoxy) benzylamine derivatives as PD-1/PD-l1 inhibitors.
Eur.J.Med.Chem., 276, 2024
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2MA1
 | | Solution structure of HRDC1 domain of RecQ helicase from Deinococcus radiodurans | | Descriptor: | DNA helicase RecQ | | Authors: | Liu, S, Zhang, W, Gao, Z, Ming, Q, Hou, H, Lan, W, Wu, H, Cao, C, Dong, Y. | | Deposit date: | 2013-06-24 | | Release date: | 2013-07-10 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the N-terminal-most HRDC1 domain of RecQ helicase from Deinococcus radiodurans
To be Published
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3LTR
 | | 5-OMe-dU containing DNA 8mer | | Descriptor: | 5'-D(*GP*(UMS)P*GP*(T5O)P*AP*CP*AP*C)-3', MAGNESIUM ION | | Authors: | Sheng, J, Hassan, A.E.A, Zhang, W, Gan, J, Huang, Z. | | Deposit date: | 2010-02-16 | | Release date: | 2010-03-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Hydrogen bond formation between the naturally modified nucleobase and phosphate backbone.
Nucleic Acids Res., 40, 2012
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3O1U
 | | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*TP*AP*AP*(MDV)P*AP*CP*CP*GP*T)-3'), ... | | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | | Deposit date: | 2010-07-22 | | Release date: | 2010-11-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase.
Nature, 468, 2010
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3O1O
 | | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), ... | | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | | Deposit date: | 2010-07-21 | | Release date: | 2010-11-17 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase
Nature, 468, 2010
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3O1S
 | | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*TP*AP*AP*(MDQ)P*AP*CP*CP*GP*T)-3'), ... | | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | | Deposit date: | 2010-07-22 | | Release date: | 2010-11-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase.
Nature, 468, 2010
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3O1T
 | | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*TP*AP*AP*(MDU)P*AP*CP*CP*GP*T)-3'), ... | | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | | Deposit date: | 2010-07-22 | | Release date: | 2010-11-17 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase.
Nature, 468, 2010
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1I1S
 | | SOLUTION STRUCTURE OF THE TRANSCRIPTIONAL ACTIVATION DOMAIN OF THE BACTERIOPHAGE T4 PROTEIN MOTA | | Descriptor: | MOTA | | Authors: | Li, N, Zhang, W, White, S.W, Kriwacki, R.W. | | Deposit date: | 2001-02-02 | | Release date: | 2001-02-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the transcriptional activation domain of the bacteriophage T4 protein, MotA.
Biochemistry, 40, 2001
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8INI
 | | vaccinia H2 protein without the transmembrane region | | Descriptor: | TETRAETHYLENE GLYCOL, vaccinia h2 protein | | Authors: | Liu, C.Y, Ko, T.P, Wang, H.C, Chang, W. | | Deposit date: | 2023-03-10 | | Release date: | 2023-11-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and functional analyses of viral H2 protein of the vaccinia virus entry fusion complex.
J.Virol., 97, 2023
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4PZA
 | | The complex structure of mycobacterial glucosyl-3-phosphoglycerate phosphatase Rv2419c with inorganic phosphate | | Descriptor: | Glucosyl-3-phosphoglycerate phosphatase, PHOSPHATE ION | | Authors: | Zhou, W.H, Zheng, Q.Q, Jiang, D.Q, Zhang, W, Zhang, Q.Q, Jin, J, Li, X, Yang, H.T, Shaw, N, Rao, Z. | | Deposit date: | 2014-03-29 | | Release date: | 2014-06-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.776 Å) | | Cite: | Mechanism of dephosphorylation of glucosyl-3-phosphoglycerate by a histidine phosphatase
J.Biol.Chem., 289, 2014
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4PZ9
 | | The native structure of mycobacterial glucosyl-3-phosphoglycerate phosphatase Rv2419c | | Descriptor: | Glucosyl-3-phosphoglycerate phosphatase | | Authors: | Zhou, W.H, Zheng, Q.Q, Jiang, D.Q, Zhang, W, Zhang, Q.Q, Jin, J, Li, X, Yang, H.T, Shaw, N, Rao, Z. | | Deposit date: | 2014-03-28 | | Release date: | 2014-06-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Mechanism of dephosphorylation of glucosyl-3-phosphoglycerate by a histidine phosphatase
J.Biol.Chem., 289, 2014
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8XC8
 | | beta-1,4-galacosyltransferase | | Descriptor: | Glycosyltransferase family 25 protein | | Authors: | Luo, G, Huang, Z, Chen, J, Hou, X, Zhu, Y, Ni, D, Xu, W, Zhang, W, Rao, Y, Mu, W. | | Deposit date: | 2023-12-08 | | Release date: | 2024-12-11 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Crystal structure and structure-guided tunnel engineering in a bacterial beta-1,4-galactosyltransferase.
Int.J.Biol.Macromol., 279, 2024
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4QIH
 | | The structure of mycobacterial glucosyl-3-phosphoglycerate phosphatase Rv2419c complexes with VO3 | | Descriptor: | Glucosyl-3-phosphoglycerate phosphatase, VANADATE ION | | Authors: | Zhou, W.H, Zheng, Q.Q, Jiang, D.Q, Zhang, W, Zhang, Q.Q, Jin, J, Li, X, Yang, H.T, Shaw, N, Rao, Z. | | Deposit date: | 2014-05-30 | | Release date: | 2014-06-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.299 Å) | | Cite: | Mechanism of dephosphorylation of glucosyl-3-phosphoglycerate by a histidine phosphatase
J.Biol.Chem., 289, 2014
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