6AK4
| Crystal structure of human FTO in complex with small-molecule inhibitors | Descriptor: | (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | Authors: | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | Deposit date: | 2018-08-30 | Release date: | 2019-07-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1. Sci Transl Med, 11, 2019
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6WO0
| human Artemis/SNM1C catalytic domain, crystal form 1 | Descriptor: | GLYCEROL, Protein artemis, ZINC ION | Authors: | Karim, F, Liu, S, Laciak, A.R, Volk, L, Rosenblum, M, Curtis, R, Huang, N, Carr, G, Zhu, G. | Deposit date: | 2020-04-23 | Release date: | 2020-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural analysis of the catalytic domain of Artemis endonuclease/SNM1C reveals distinct structural features. J.Biol.Chem., 295, 2020
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6WNL
| human Artemis/SNM1C catalytic domain, crystal form 2 | Descriptor: | Protein artemis, ZINC ION | Authors: | Karim, F, Liu, S, Laciak, A.R, Volk, L, Rosenblum, M, Curtis, R, Huang, N, Carr, G, Zhu, G. | Deposit date: | 2020-04-22 | Release date: | 2020-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural analysis of the catalytic domain of Artemis endonuclease/SNM1C reveals distinct structural features. J.Biol.Chem., 295, 2020
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6K0R
| Ruvbl1-Ruvbl2 with truncated domain II in complex with phosphorylated Cordycepin | Descriptor: | 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Zhang, W, Chen, L, Li, W, Ju, D, Huang, N, Zhang, E. | Deposit date: | 2019-05-07 | Release date: | 2020-05-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Chemical perturbations reveal that RUVBL2 regulates the circadian phase in mammals. Sci Transl Med, 12, 2020
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2Z8O
| Structural basis for the catalytic mechanism of phosphothreonine lyase | Descriptor: | 27.5 kDa virulence protein, L(+)-TARTARIC ACID | Authors: | Chen, L, Wang, H, Gu, L, Huang, N, Zhou, J.M, Chai, J. | Deposit date: | 2007-09-07 | Release date: | 2007-12-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for the catalytic mechanism of phosphothreonine lyase. Nat.Struct.Mol.Biol., 15, 2008
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5KPN
| Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | Descriptor: | 1-[[4-fluoranyl-3-(3-oxidanylidene-4-propyl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1 | Authors: | Cao, R, Wang, Y.L, Zhou, J, Yao, H.P, Huang, N, Xu, B.L. | Deposit date: | 2016-07-05 | Release date: | 2016-12-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor To Be Published
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2Z8P
| Structural basis for the catalytic mechanism of phosphothreonine lyase | Descriptor: | (GLY)(GLU)(ALA)(TPO)(VAL)(PTR)(ALA), 27.5 kDa virulence protein | Authors: | Chen, L, Wang, H, Gu, L, Huang, N, Zhou, J.M, Chai, J. | Deposit date: | 2007-09-07 | Release date: | 2007-12-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for the catalytic mechanism of phosphothreonine lyase. Nat.Struct.Mol.Biol., 15, 2008
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2Z8N
| Structural basis for the catalytic mechanism of phosphothreonine lyase | Descriptor: | 27.5 kDa virulence protein, SULFATE ION | Authors: | Chen, L, Wang, H, Gu, L, Huang, N, Zhou, J.M, Chai, J. | Deposit date: | 2007-09-07 | Release date: | 2007-12-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for the catalytic mechanism of phosphothreonine lyase. Nat.Struct.Mol.Biol., 15, 2008
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2Z8M
| Structural basis for the catalytic mechanism of phosphothreonine lyase | Descriptor: | 27.5 kDa virulence protein | Authors: | Chen, L, Wang, H, Gu, L, Huang, N, Zhou, J.M, Chai, J. | Deposit date: | 2007-09-07 | Release date: | 2007-12-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the catalytic mechanism of phosphothreonine lyase. Nat.Struct.Mol.Biol., 15, 2008
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5KPP
| Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | Descriptor: | 1-[[4-fluoranyl-3-[(3R)-3-methyl-4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1 | Authors: | Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. | Deposit date: | 2016-07-05 | Release date: | 2016-11-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor To Be Published
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5KPO
| Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | Descriptor: | 1-[[3-(4-ethyl-3-oxidanylidene-piperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1 | Authors: | Cao, R, Wang, Y.L, Zhou, J, Yao, H.P, Huang, N, Xu, B.L. | Deposit date: | 2016-07-05 | Release date: | 2016-12-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor To Be Published
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5KPQ
| Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | Descriptor: | 1-[[4-fluoranyl-3-[(3R)-3-methyl-4-propyl-piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1 | Authors: | Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. | Deposit date: | 2016-07-05 | Release date: | 2016-12-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor To Be Published
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3HFJ
| Bacillus anthracis nicotinate mononucleotide adenylytransferase (nadD) in complex with inhibitor CID 3289443 | Descriptor: | 3-amino-N-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide, CALCIUM ION, Nicotinate (Nicotinamide) nucleotide adenylyltransferase | Authors: | Zhang, H, Huang, N, Eyobo, Y. | Deposit date: | 2009-05-11 | Release date: | 2009-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Targeting NAD biosynthesis in bacterial pathogens: Structure-based development of inhibitors of nicotinate mononucleotide adenylyltransferase NadD. Chem.Biol., 16, 2009
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4RC3
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4RC4
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4RBL
| Crystal structure of Ser/Thr kinase Pim1 in complex with Mitoxantrone derivatives | Descriptor: | 1,4,5,8-tetrahydroxyanthracene-9,10-dione, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Wan, X, Huang, N. | Deposit date: | 2014-09-12 | Release date: | 2015-03-18 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal structure of Ser/Thr kinase Pim1 in complex with Mitoxantrone derivatives To be Published, 2014
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4RC2
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6KZI
| Crystal structure of Ser/Thr kinase Pim1 in complex with thioridazine derivatives | Descriptor: | 4-(2-chloro-10H-phenoxazin-10-yl)-N,N-diethylbutan-1-amine, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Wan, X, Li, W, Xie, Y, Huang, N. | Deposit date: | 2019-09-24 | Release date: | 2020-03-04 | Last modified: | 2021-03-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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5C1Q
| Serine/threonine-protein kinase pim-1 | Descriptor: | 3-methoxy[1]benzothieno[2,3-c]quinolin-6(5H)-one, Serine/threonine-protein kinase pim-1 | Authors: | Li, W, Wan, X, Huang, N. | Deposit date: | 2015-06-15 | Release date: | 2015-12-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Serine/threonine-protein kinase pim-1 To Be Published
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5G06
| Cryo-EM structure of yeast cytoplasmic exosome | Descriptor: | EXOSOME COMPLEX COMPONENT CSL4, EXOSOME COMPLEX COMPONENT MTR3, EXOSOME COMPLEX COMPONENT RRP4, ... | Authors: | Liu, J.J, Niu, C.Y, Wu, Y, Tan, D, Wang, Y, Ye, M.D, Liu, Y, Zhao, W.W, Zhou, K, Liu, Q.S, Dai, J.B, Yang, X.R, Dong, M.Q, Huang, N, Wang, H.W. | Deposit date: | 2016-03-17 | Release date: | 2016-06-15 | Last modified: | 2017-08-02 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryoem Structure of Yeast Cytoplasmic Exosome Complex. Cell Res., 26, 2016
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4IAA
| Crystal structure of Ser/Thr kinase Pim1 in complex with thioridazine | Descriptor: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Wan, X, Li, W, Xie, Y, Huang, N. | Deposit date: | 2012-12-06 | Release date: | 2013-12-18 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal structure of Ser/Thr kinase Pim1 in complex with thioridazine To be Published
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5XYY
| The structure of p38 alpha in complex with a triazol inhibitor | Descriptor: | 3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol, Mitogen-activated protein kinase 14 | Authors: | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N. | Deposit date: | 2017-07-11 | Release date: | 2018-01-17 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery. J. Med. Chem., 60, 2017
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4GNT
| Complex of ChREBP and 14-3-3beta | Descriptor: | 14-3-3 protein beta/alpha, Carbohydrate-responsive element-binding protein, SULFATE ION | Authors: | Zhang, H, Huang, N. | Deposit date: | 2012-08-17 | Release date: | 2012-10-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Crystal Structure of Carbohydrate Response Element Binding Protein (ChREBP) in complex with 14-3-3b To be Published
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3QB5
| Human C3PO complex in the presence of MnSO4 | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, PHOSPHATE ION, ... | Authors: | Ye, X, Huang, N, Liu, Y, Paroo, Z, Chen, S, Zhang, H, Liu, Q. | Deposit date: | 2011-01-12 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structure of C3PO and mechanism of human RISC activation. Nat.Struct.Mol.Biol., 18, 2011
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4I41
| Crystal Structure of human Ser/Thr kinase Pim1 in complex with mitoxantrone | Descriptor: | 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Wan, X, Xie, Y, Huang, N. | Deposit date: | 2012-11-27 | Release date: | 2013-12-11 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A new target for an old drug: identifying mitoxantrone as a nanomolar inhibitor of PIM1 kinase via kinome-wide selectivity modeling. J. Med. Chem., 56, 2013
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