3JBX
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![BU of 3jbx by Molmil](/molmil-images/mine/3jbx) | Cryo-electron microscopy structure of RAG Signal End Complex (C2 symmetry) | Descriptor: | 5'-D(*CP*AP*CP*AP*GP*TP*GP*CP*TP*AP*CP*AP*GP*AP*C)-3', 5'-D(*GP*CP*GP*AP*TP*GP*GP*TP*TP*AP*AP*CP*CP*A)-3', 5'-D(P*GP*TP*CP*TP*GP*TP*AP*GP*CP*AP*CP*TP*GP*TP*G)-3', ... | Authors: | Ru, H, Chambers, M.G, Fu, T.-M, Tong, A.B, Liao, M, Wu, H. | Deposit date: | 2015-10-22 | Release date: | 2015-12-09 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Molecular Mechanism of V(D)J Recombination from Synaptic RAG1-RAG2 Complex Structures. Cell(Cambridge,Mass.), 163, 2015
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5E8R
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![BU of 5e8r by Molmil](/molmil-images/mine/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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1I4O
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![BU of 1i4o by Molmil](/molmil-images/mine/1i4o) | CRYSTAL STRUCTURE OF THE XIAP/CASPASE-7 COMPLEX | Descriptor: | BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 4, CASPASE-7 | Authors: | Huang, Y, Park, Y.C, Rich, R.L, Segal, D, Myszka, D.G, Wu, H. | Deposit date: | 2001-02-22 | Release date: | 2001-03-21 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of caspase inhibition by XIAP: differential roles of the linker versus the BIR domain. Cell(Cambridge,Mass.), 104, 2001
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5JQE
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![BU of 5jqe by Molmil](/molmil-images/mine/5jqe) | Crystal structure of caspase8 tDED | Descriptor: | Sugar ABC transporter substrate-binding protein,Caspase-8 chimera | Authors: | Fu, T, Li, Y, Lu, A, Wu, H. | Deposit date: | 2016-05-04 | Release date: | 2016-10-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.157 Å) | Cite: | Cryo-EM Structure of Caspase-8 Tandem DED Filament Reveals Assembly and Regulation Mechanisms of the Death-Inducing Signaling Complex. Mol. Cell, 64, 2016
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1SO8
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![BU of 1so8 by Molmil](/molmil-images/mine/1so8) | Abeta-bound human ABAD structure [also known as 3-hydroxyacyl-CoA dehydrogenase type II (Type II HADH), Endoplasmic reticulum-associated amyloid beta-peptide binding protein (ERAB)] | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase type II, CHLORIDE ION, SODIUM ION | Authors: | Lustbader, J.W, Cirilli, M, Wu, H. | Deposit date: | 2004-03-13 | Release date: | 2004-05-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | ABAD directly links Abeta to mitochondrial toxicity in Alzheimer's disease. Science, 304, 2004
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6CBX
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![BU of 6cbx by Molmil](/molmil-images/mine/6cbx) | Crystal structure of human SET and MYND Domain Containing protein 2 with MTF1497 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, N-lysine methyltransferase SMYD2, ... | Authors: | ZENG, H, DONG, A, Hutchinson, A, Seitova, A, TATLOCK, J, KUMPF, R, OWEN, A, TAYLOR, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-05 | Release date: | 2018-03-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal structure of human SET and MYND Domain Containing protein 2 with MTF1497 to be published
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5K22
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![BU of 5k22 by Molmil](/molmil-images/mine/5k22) | |
8CXO
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![BU of 8cxo by Molmil](/molmil-images/mine/8cxo) | Cryo-EM structure of the unliganded mSMO-PGS2 in a lipidic environment | Descriptor: | CHOLESTEROL, Smoothened homolog, GlgA glycogen synthase chimera | Authors: | Zhang, K, Wu, H, Hoppe, N, Manglik, A, Cheng, Y. | Deposit date: | 2022-05-22 | Release date: | 2022-08-03 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Fusion protein strategies for cryo-EM study of G protein-coupled receptors. Nat Commun, 13, 2022
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6DK3
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![BU of 6dk3 by Molmil](/molmil-images/mine/6dk3) | HUMAN MITOCHONDRIAL SERINE HYDROXYMETHYLTRANSFERASe 2 | Descriptor: | Serine hydroxymethyltransferase, mitochondrial, UNKNOWN ATOM OR ION | Authors: | Dong, A, Wu, H, Zeng, H, Loppnau, P, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2018-05-28 | Release date: | 2018-06-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | HUMAN MITOCHONDRIAL SERINE HYDROXYMETHYLTRANSFERASe 2 to be published
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7LJ1
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![BU of 7lj1 by Molmil](/molmil-images/mine/7lj1) | Human Prx1-Srx Decameric Complex | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Forshaw, T.E, Reisz, J.A, Nelson, K.J, Gumpena, R, Lawson, J.R, Jonsson, T, Wu, H, Clodfelter, J.E, Johnson, L, Furdui, C.M, Lowther, W.T. | Deposit date: | 2021-01-28 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Specificity of Human Sulfiredoxin for Reductant and Peroxiredoxin Oligomeric State. Antioxidants (Basel), 10, 2021
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6CBY
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![BU of 6cby by Molmil](/molmil-images/mine/6cby) | Crystal structure of human SET and MYND Domain Containing protein 2 with MTF9975 | Descriptor: | N-lysine methyltransferase SMYD2, ZINC ION, [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone | Authors: | ZENG, H, DONG, A, Hutchinson, A, Seitova, A, TATLOCK, J, KUMPF, R, OWEN, A, TAYLOR, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-05 | Release date: | 2018-03-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Selective, Small-Molecule Co-Factor Binding Site Inhibition of a Su(var)3-9, Enhancer of Zeste, Trithorax Domain Containing Lysine Methyltransferase. J.Med.Chem., 62, 2019
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4U9A
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![BU of 4u9a by Molmil](/molmil-images/mine/4u9a) | |
7RAV
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![BU of 7rav by Molmil](/molmil-images/mine/7rav) | Cryo-EM structure of the unliganded form of NLR family apoptosis inhibitory protein 5 (NAIP5) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Baculoviral IAP repeat-containing protein 1e | Authors: | Paidimuddala, B, Cao, J, Xie, Q, Wu, H, Zhang, L. | Deposit date: | 2021-07-02 | Release date: | 2023-01-11 | Last modified: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Mechanism of NAIP-NLRC4 inflammasome activation revealed by cryo-EM structure of unliganded NAIP5. Nat.Struct.Mol.Biol., 30, 2023
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5EAM
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![BU of 5eam by Molmil](/molmil-images/mine/5eam) | Crystal structure of human WDR5 in complex with compound 9o | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, ... | Authors: | DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2015-10-16 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1). J. Med. Chem., 59, 2016
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2BBR
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![BU of 2bbr by Molmil](/molmil-images/mine/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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6MK7
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![BU of 6mk7 by Molmil](/molmil-images/mine/6mk7) | Solution structure of the large extracellular loop of FtsX in Streptococcus pneumoniae | Descriptor: | Cell division protein FtsX | Authors: | Edmonds, K.A, Fu, Y, Wu, H, Rued, B.E, Bruce, K.E, Winkler, M.E, Giedroc, D.P. | Deposit date: | 2018-09-25 | Release date: | 2019-02-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of the Large Extracellular Loop of FtsX and Its Interaction with the Essential Peptidoglycan Hydrolase PcsB in Streptococcus pneumoniae. MBio, 10, 2019
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1M2S
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![BU of 1m2s by Molmil](/molmil-images/mine/1m2s) | Solution Structure of A New Potassium Channels Blocker from the Venom of Chinese Scorpion Buthus martensi Karsch | Descriptor: | Toxin BmTX3 | Authors: | Wang, Y, Li, M, Zhang, N, Wu, G, Hu, G, Wu, H. | Deposit date: | 2002-06-25 | Release date: | 2004-04-06 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | The solution structure of BmTx3B, a member of the scorpion toxin subfamily alpha-KTx 16 Proteins, 58, 2005
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5EAP
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![BU of 5eap by Molmil](/molmil-images/mine/5eap) | Crystal structure of human WDR5 in complex with compound 9e | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2015-10-16 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1). J. Med. Chem., 59, 2016
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5EAR
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![BU of 5ear by Molmil](/molmil-images/mine/5ear) | Crystal structure of human WDR5 in complex with compound 9d | Descriptor: | 1,2-ETHANEDIOL, N-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide, SULFATE ION, ... | Authors: | DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2015-10-16 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1). J. Med. Chem., 59, 2016
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5EAL
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![BU of 5eal by Molmil](/molmil-images/mine/5eal) | Crystal structure of human WDR5 in complex with compound 9h | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-quinolin-3-yl-phenyl]benzamide, CHLORIDE ION, ... | Authors: | DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2015-10-16 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of human WDR5 in complex with compound 9h to be published
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6DLP
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![BU of 6dlp by Molmil](/molmil-images/mine/6dlp) | Crystal structure of LRRK2 WD40 domain dimer | Descriptor: | Leucine-rich repeat serine/threonine-protein kinase 2, PLATINUM (II) ION | Authors: | Zhang, P, Ru, H, Wang, L, Wu, H. | Deposit date: | 2018-06-02 | Release date: | 2019-01-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Crystal structure of the WD40 domain dimer of LRRK2. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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2VXK
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![BU of 2vxk by Molmil](/molmil-images/mine/2vxk) | Structural comparison between Aspergillus fumigatus and human GNA1 | Descriptor: | 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, COENZYME A, GLUCOSAMINE 6-PHOSPHATE ACETYLTRANSFERASE, ... | Authors: | Hurtado-Guerrero, R, Raimi, O.G, Min, J, Zeng, H, Vallius, L, Shepherd, S, Ibrahim, A.F.M, Wu, H, Plotnikov, A.N, van Aalten, D.M.F. | Deposit date: | 2008-07-05 | Release date: | 2008-07-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Kinetic Differences between Human and Aspergillus Fumigatus D-Glucosamine-6- Phosphate N-Acetyltransferase. Biochem.J., 415, 2008
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5EGS
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![BU of 5egs by Molmil](/molmil-images/mine/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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2QL1
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![BU of 2ql1 by Molmil](/molmil-images/mine/2ql1) | Structural Characterization of a Mutated, ADCC-Enhanced Human Fc Fragment | Descriptor: | IGHM protein, ZINC ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Oganesyan, V, Wu, H, Dall'Acqua, W.F. | Deposit date: | 2007-07-12 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.534 Å) | Cite: | Structural characterization of a mutated, ADCC-enhanced human Fc fragment Mol.Immunol., 45, 2008
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4LVG
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![BU of 4lvg by Molmil](/molmil-images/mine/4lvg) | 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)-N-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-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 (1.702 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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