3MLA
 
 | | BaNadD in complex with inhibitor 1_02 | | Descriptor: | 4-[2-(anthracen-9-ylmethylidene)hydrazino]-N-(3-chlorophenyl)-4-oxobutanamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Huang, N, Eyobo, Y, Zhang, H. | | Deposit date: | 2010-04-16 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Complexes of bacterial nicotinate mononucleotide adenylyltransferase with inhibitors: implication for structure-based drug design and improvement.
J.Med.Chem., 53, 2010
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3GZ8
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3MMX
 | | Bacillus anthracis NadD (baNadD) in complex with compound 1_02_3 | | Descriptor: | CITRIC ACID, DIMETHYL SULFOXIDE, POTASSIUM ION, ... | | Authors: | Huang, N, Zhang, H. | | Deposit date: | 2010-04-20 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.552 Å) | | Cite: | Complexes of bacterial nicotinate mononucleotide adenylyltransferase with inhibitors: implication for structure-based drug design and improvement.
J.Med.Chem., 53, 2010
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3MLB
 | | BaNadD in complex with inhibitor 1_02_1 | | Descriptor: | 4,4'-{cyclohexa-2,5-diene-1,4-diylidenebis[(E)methylylidene(E)diazene-2,1-diyl]}bis[N-(2-chlorophenyl)-4-oxobutanamide], FORMIC ACID, POTASSIUM ION, ... | | Authors: | Huang, N, Zhang, H, Eyobo, Y. | | Deposit date: | 2010-04-16 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Complexes of bacterial nicotinate mononucleotide adenylyltransferase with inhibitors: implication for structure-based drug design and improvement.
J.Med.Chem., 53, 2010
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3GZ5
 | | Crystal structure of Shewanella oneidensis NrtR | | Descriptor: | MutT/nudix family protein, SODIUM ION | | Authors: | Huang, N, Zhang, H. | | Deposit date: | 2009-04-06 | | Release date: | 2009-06-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and function of an ADP-ribose-dependent transcriptional regulator of NAD metabolism
Structure, 17, 2009
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3GZ6
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3PJA
 | | Crystal structure of human C3PO complex | | Descriptor: | Translin, Translin-associated protein X | | Authors: | Huang, N, Zhang, H. | | Deposit date: | 2010-11-09 | | Release date: | 2011-05-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of C3PO and mechanism of human RISC activation.
Nat.Struct.Mol.Biol., 18, 2011
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4F3L
 | | Crystal Structure of the Heterodimeric CLOCK:BMAL1 Transcriptional Activator Complex | | Descriptor: | BMAL1b, Circadian locomoter output cycles protein kaput | | Authors: | Huang, N, Chelliah, Y, Shan, Y, Taylor, C, Yoo, S, Partch, C, Green, C.B, Zhang, H, Takahashi, J. | | Deposit date: | 2012-05-09 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.268 Å) | | Cite: | Crystal structure of the heterodimeric CLOCK:BMAL1 transcriptional activator complex.
Science, 337, 2012
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2QJO
 | | crystal structure of a bifunctional NMN adenylyltransferase/ADP ribose pyrophosphatase (NadM) complexed with ADPRP and NAD from Synechocystis sp. | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Bifunctional NMN adenylyltransferase/Nudix hydrolase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Huang, N, Sorci, L, Zhang, X, Brautigan, C, Raffaelli, N, Magni, G, Grishin, N.V, Osterman, A, Zhang, H. | | Deposit date: | 2007-07-08 | | Release date: | 2008-03-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Bifunctional NMN Adenylyltransferase/ADP-Ribose Pyrophosphatase: Structure and Function in Bacterial NAD Metabolism.
Structure, 16, 2008
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2QJT
 | | Crystal structure of a bifunctional NMN adenylyltransferase/ADP ribose pyrophosphatase complexed with AMP and MN ion from Francisella tularensis | | Descriptor: | ADENOSINE MONOPHOSPHATE, MANGANESE (II) ION, Nicotinamide-nucleotide adenylyltransferase | | Authors: | Huang, N, Sorci, L, Zhang, X, Brautigan, C, Raffaelli, N, Magni, G, Grishin, N.V, Osterman, A, Zhang, H. | | Deposit date: | 2007-07-09 | | Release date: | 2008-03-04 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Bifunctional NMN Adenylyltransferase/ADP-Ribose Pyrophosphatase: Structure and Function in Bacterial NAD Metabolism.
Structure, 16, 2008
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2R5W
 | | Crystal structure of a bifunctional NMN adenylyltransferase/ADP ribose pyrophosphatase from Francisella tularensis | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Nicotinamide-nucleotide adenylyltransferase | | Authors: | Huang, N, Sorci, L, Zhang, X, Brautigan, C, Li, X, Raffaelli, N, Grishin, N, Osterman, A, Zhang, H. | | Deposit date: | 2007-09-04 | | Release date: | 2008-03-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Bifunctional NMN Adenylyltransferase/ADP-Ribose Pyrophosphatase: Structure and Function in Bacterial NAD Metabolism.
Structure, 16, 2008
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8H3D
 | | Structure of apo SARS-CoV-2 spike protein with one RBD up | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin | | Authors: | Meng, F, Wang, Q, Xie, Y, Ni, X, Huang, N. | | Deposit date: | 2022-10-08 | | Release date: | 2023-03-22 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | In Silico Discovery of Small Molecule Modulators Targeting the Achilles' Heel of SARS-CoV-2 Spike Protein.
Acs Cent.Sci., 9, 2023
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8H3E
 | | Complex structure of a small molecule (SPC-14) bound SARS-CoV-2 spike protein, closed state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(6-nitro-2,3-dihydroindol-1-yl)-7-oxidanylidene-heptanoic acid, Spike glycoprotein,Fibritin | | Authors: | Meng, F, Wang, Q, Xie, Y, Ni, X, Huang, N. | | Deposit date: | 2022-10-08 | | Release date: | 2023-03-22 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | In Silico Discovery of Small Molecule Modulators Targeting the Achilles' Heel of SARS-CoV-2 Spike Protein.
Acs Cent.Sci., 9, 2023
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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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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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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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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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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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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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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: | 2023-09-20 | | 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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