4LV9
 
 | | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | Descriptor: | 1,2-ETHANEDIOL, 7-chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | | Deposit date: | 2013-07-26 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.807 Å) | | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
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4LVF
 | | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | Descriptor: | (1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | | Deposit date: | 2013-07-26 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
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4LVA
 | | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | Descriptor: | 1,2-ETHANEDIOL, N-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | | Deposit date: | 2013-07-26 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
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3RZF
 | | Crystal Structure of Inhibitor of kappaB kinase beta (I4122) | | Descriptor: | (4-{[4-(4-chlorophenyl)pyrimidin-2-yl]amino}phenyl)[4-(2-hydroxyethyl)piperazin-1-yl]methanone, MGC80376 protein | | Authors: | Xu, G, Lo, Y.C, Li, Q, Napolitano, G, Wu, X, Jiang, X, Dreano, M, Karin, M, Wu, H. | | Deposit date: | 2011-05-11 | | Release date: | 2011-05-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Crystal structure of inhibitor of KappaB kinase Beta.
Nature, 472, 2011
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6VFE
 | | Gasdermin D pore | | Descriptor: | Gasdermin-D, N-terminal | | Authors: | Xia, S, Ruan, J, Wu, H. | | Deposit date: | 2020-01-03 | | Release date: | 2021-04-21 | | Last modified: | 2021-06-09 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Gasdermin D pore structure reveals preferential release of mature interleukin-1.
Nature, 593, 2021
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6W8N
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6W8P
 | | Structure of membrane protein with ions | | Descriptor: | Endosomal/lysosomal potassium channel TMEM175, POTASSIUM ION | | Authors: | Shen, C, Fu, T.M, Wang, L.F, Rawson, S, Wu, H. | | Deposit date: | 2020-03-21 | | Release date: | 2021-08-04 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure of membrane protein with ions
To Be Published
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6W8O
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6WWZ
 | | Cryo-EM structure of the human chemokine receptor CCR6 in complex with CCL20 and a Go protein | | Descriptor: | C-C chemokine receptor type 6,C-C chemokine receptor type 6, C-C motif chemokine 20, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Wasilko, D.J, Johnson, Z.L, Ammirati, M, Han, S, Wu, H. | | Deposit date: | 2020-05-09 | | Release date: | 2020-06-24 | | Last modified: | 2020-07-01 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Structural basis for chemokine receptor CCR6 activation by the endogenous protein ligand CCL20.
Nat Commun, 11, 2020
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4IAR
 | | Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with ergotamine (PSI Community Target) | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Ergotamine | | Authors: | Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR) | | Deposit date: | 2012-12-07 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for molecular recognition at serotonin receptors.
Science, 340, 2013
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4IAQ
 | | Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with dihydroergotamine (PSI Community Target) | | Descriptor: | Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Dihydroergotamine | | Authors: | Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR) | | Deposit date: | 2012-12-07 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for molecular recognition at serotonin receptors.
Science, 340, 2013
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4IKP
 | | Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin | | Descriptor: | (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1, ... | | Authors: | Dong, A, Dombrovski, L, He, H, Ibanez, G, Wernimont, A, Zheng, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-12-27 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
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3QKW
 | | Structure of Streptococcus parasangunini Gtf3 glycosyltransferase | | Descriptor: | Nucleotide sugar synthetase-like protein, URIDINE-5'-DIPHOSPHATE | | Authors: | Zhu, F, Erlandsen, H, Huang, Y, Ding, L, Zhou, M, Liang, X, Ma, J.-B, Wu, H. | | Deposit date: | 2011-02-01 | | Release date: | 2011-06-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.287 Å) | | Cite: | Structural and Functional Analysis of a New Subfamily of Glycosyltransferases Required for Glycosylation of Serine-rich Streptococcal Adhesins.
J.Biol.Chem., 286, 2011
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1Z4R
 | | Human GCN5 Acetyltransferase | | Descriptor: | ACETYL COENZYME *A, General control of amino acid synthesis protein 5-like 2 | | Authors: | Dong, A, Bernstein, G, Schuetz, A, Antoshenko, T, Wu, H, Loppnau, P, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Plotnikov, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-03-16 | | Release date: | 2005-03-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Crystal structure of a binary complex between human GCN5 histone acetyltransferase domain and acetyl coenzyme A
Proteins, 68, 2007
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2BBR
 | | Crystal Structure of MC159 Reveals Molecular Mechanism of DISC Assembly and vFLIP Inhibition | | Descriptor: | AZIDE ION, Viral CASP8 and FADD-like apoptosis regulator | | Authors: | Yang, J.K, Wang, L, Zheng, L, Wan, F, Ahmed, M, Lenardo, M.J, Wu, H. | | Deposit date: | 2005-10-17 | | Release date: | 2006-02-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structure of MC159 reveals molecular mechanism of DISC assembly and FLIP inhibition.
Mol.Cell, 20, 2005
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2BBZ
 | | Crystal Structure of MC159 Reveals Molecular Mechanism of DISC Assembly and vFLIP Inhibition | | Descriptor: | Viral CASP8 and FADD-like apoptosis regulator | | Authors: | Yang, J.K, Wang, L, Zheng, L, Wan, F, Ahmed, M, Lenardo, M.J, Wu, H. | | Deposit date: | 2005-10-18 | | Release date: | 2006-02-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Crystal structure of MC159 reveals molecular mechanism of DISC assembly and FLIP inhibition.
Mol.Cell, 20, 2005
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5E8R
 | | Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae) | | Descriptor: | CHLORIDE ION, N-methyl-N-({4-[4-(propan-2-yloxy)phenyl]-1H-pyrrol-3-yl}methyl)ethane-1,2-diamine, Protein arginine N-methyltransferase 6, ... | | Authors: | DONG, A, ZENG, H, LIU, J, TEMPEL, W, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, JIN, J, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-10-14 | | Release date: | 2015-12-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | A Potent, Selective, and Cell-Active Inhibitor of Human Type I Protein Arginine Methyltransferases.
Acs Chem.Biol., 11, 2016
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2BW7
 | | A novel mechanism for adenylyl cyclase inhibition from the crystal structure of its complex with catechol estrogen | | Descriptor: | 2,3,17BETA-TRIHYDROXY-1,3,5(10)-ESTRATRIENE, ADENYLATE CYCLASE, CALCIUM ION, ... | | Authors: | Steegborn, C, Litvin, T.N, Hess, K.C, Capper, A.B, Taussig, R, Buck, J, Levin, L.R, Wu, H. | | Deposit date: | 2005-07-12 | | Release date: | 2005-07-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A Novel Mechanism for Adenylyl Cyclase Inhibition from the Crystal Structure of its Complex with Catechol Estrogen
J.Biol.Chem., 280, 2005
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4I51
 | | Methyltransferase domain of HUMAN EUCHROMATIC HISTONE METHYLTRANSFERASE 1, mutant Y1211A | | Descriptor: | GLYCEROL, H3K9 NE-ALLYL PEPTIDE, Histone-lysine N-methyltransferase EHMT1, ... | | Authors: | Dong, A, Zeng, H, Walker, J.R, Islam, K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Lou, M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-11-28 | | Release date: | 2012-12-19 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Defining efficient enzyme-cofactor pairs for bioorthogonal profiling of protein methylation.
Proc.Natl.Acad.Sci.USA, 110, 2013
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5EGS
 | | Human PRMT6 with bound fragment-type inhibitor | | Descriptor: | 2-[4-(phenylmethyl)piperidin-1-yl]ethanamine, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Steuber, H, Egner, U, Kania, J, Wu, H, Brown, P.J. | | Deposit date: | 2015-10-27 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of a Potent Class I Protein Arginine Methyltransferase Fragment Inhibitor.
J.Med.Chem., 59, 2016
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1QR6
 | | HUMAN MITOCHONDRIAL NAD(P)-DEPENDENT MALIC ENZYME | | Descriptor: | MALIC ENZYME 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Xu, Y, Bhargava, G, Wu, H, Loeber, G, Tong, L. | | Deposit date: | 1999-06-18 | | Release date: | 1999-07-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of human mitochondrial NAD(P)(+)-dependent malic enzyme: a new class of oxidative decarboxylases.
Structure, 7, 1999
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2PXX
 | | Human putative methyltransferase MGC2408 | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION, Uncharacterized protein MGC2408 | | Authors: | Tempel, W, Wu, H, Dombrovsky, L, Zeng, H, Zhu, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-05-14 | | Release date: | 2007-05-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | An intact SAM-dependent methyltransferase fold is encoded by the human endothelin-converting enzyme-2 gene.
Proteins, 74, 2009
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5FAI
 | | EMG1 N1-Specific Pseudouridine Methyltransferase | | Descriptor: | CITRIC ACID, Ribosomal RNA small subunit methyltransferase NEP1, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | DONG, A, ZENG, H, LI, Y, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-12-11 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | EMG1 N1-Specific Pseudouridine Methyltransferase
to be published
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4JDS
 | | SETD7 in complex with inhibitor PF-5426 and S-adenosyl-methionine | | Descriptor: | Histone-lysine N-methyltransferase SETD7, N-[(2R)-3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-8-fluoro-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, S-ADENOSYLMETHIONINE, ... | | Authors: | Dong, A, Wu, H, Zeng, H, Park, H, El Bakkouri, M, Barsyte, D, Vedadi, M, Tatlock, J, Owen, D, Bunnage, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-02-25 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | SETD7 in complex with inhibitor PF-5426 and S-adenosyl-methionine
to be published
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2KBJ
 | | solution structure of BmKalphaTx11 (minor conformation) | | Descriptor: | Toxin Bmka2 | | Authors: | Zhu, J, Wu, H. | | Deposit date: | 2008-11-28 | | Release date: | 2009-12-08 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure of BmKalphaTx11, a toxin from the venom of the Chinese scorpion Buthus martensii Karsch
Biochem.Biophys.Res.Commun., 391, 2010
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