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4N9C
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BU of 4n9c by Molmil
Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 5-nitro-1H-benzimidazole, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X.
Deposit date:2013-10-20
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
2VGB
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BU of 2vgb by Molmil
HUMAN ERYTHROCYTE PYRUVATE KINASE
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 2-PHOSPHOGLYCOLIC ACID, MANGANESE (II) ION, ...
Authors:Valentini, G, Chiarelli, L, Fortin, R, Dolzan, M, Galizzi, A, Abraham, D.J, Wang, C, Bianchi, P, Zanella, A, Mattevi, A.
Deposit date:2007-11-12
Release date:2007-11-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Structure and Function of Human Erythrocyte Pyruvate Kinase. Molecular Basis of Nonspherocytic Hemolytic Anemia.
J.Biol.Chem., 277, 2002
4N9E
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BU of 4n9e by Molmil
Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 1,2-ETHANEDIOL, 1-[(1-benzoylpiperidin-4-yl)methyl]-N-(pyridin-3-yl)-1H-benzimidazole-5-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ...
Authors:Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X.
Deposit date:2013-10-20
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
1XMI
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BU of 1xmi by Molmil
Crystal structure of human F508A NBD1 domain with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Lewis, H.A, Zhao, X, Wang, C, Sauder, J.M, Rooney, I, Noland, B.W, Lorimer, D, Kearins, M.C, Conners, K, Condon, B, Maloney, P.C, Guggino, W.B, Hunt, J.F, Emtage, S, Structural GenomiX
Deposit date:2004-10-02
Release date:2004-11-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Impact of the delta-F508 Mutation in First Nucleotide-binding Domain of Human Cystic Fibrosis Transmembrane Conductance Regulator on Domain Folding and Structure
J.Biol.Chem., 280, 2005
1XMJ
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BU of 1xmj by Molmil
Crystal structure of human deltaF508 human NBD1 domain with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Lewis, H.A, Zhao, X, Wang, C, Sauder, J.M, Rooney, I, Noland, B.W, Lorimer, D, Kearins, M.C, Conners, K, Condon, B, Maloney, P.C, Guggino, W.B, Hunt, J.F, Emtage, S, Structural GenomiX
Deposit date:2004-10-02
Release date:2004-11-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Impact of the delta-F508 Mutation in First Nucleotide-binding Domain of Human Cystic Fibrosis Transmembrane Conductance Regulator on Domain Folding and Structure
J.Biol.Chem., 280, 2005
4N9B
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BU of 4n9b by Molmil
Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 1-methyl-N-(pyridin-3-yl)-1H-pyrazole-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhai, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X.
Deposit date:2013-10-20
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.859 Å)
Cite:Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
4N9D
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BU of 4n9d by Molmil
Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 1,2-ETHANEDIOL, 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X.
Deposit date:2013-10-20
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
1UD0
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BU of 1ud0 by Molmil
CRYSTAL STRUCTURE OF THE C-TERMINAL 10-kDA SUBDOMAIN OF HSC70
Descriptor: 70 kDa heat-shock-like protein, SODIUM ION
Authors:Chou, C.C, Forouhar, F, Yeh, Y.H, Wang, C, Hsiao, C.D.
Deposit date:2003-04-24
Release date:2004-05-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Crystal structure of the C-terminal 10-kDa subdomain of Hsc70
J.BIOL.CHEM., 278, 2003
6TYY
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BU of 6tyy by Molmil
Hedgehog autoprocessing mutant D46H
Descriptor: Protein hedgehog
Authors:Li, H, Li, Z, Wang, C, Callahan, B.P.
Deposit date:2019-08-09
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:General Base Swap Preserves Activity and Expands Substrate Tolerance in Hedgehog Autoprocessing.
J.Am.Chem.Soc., 141, 2019
6K3K
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BU of 6k3k by Molmil
Solution structure of APOBEC3G-CD2 with ssDNA, Product B
Descriptor: DNA dC->dU-editing enzyme APOBEC-3G, DNA/RNA (5'-D(*AP*TP*TP*CP*UP*(ICY)P*AP*AP*TP*T)-3'), ZINC ION
Authors:Cao, C, Yan, X, Lan, W, Wang, C.
Deposit date:2019-05-19
Release date:2019-06-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Investigations on the Interactions between Cytidine Deaminase Human APOBEC3G and DNA.
Chem Asian J, 14, 2019
6K3J
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BU of 6k3j by Molmil
Solution structure of APOBEC3G-CD2 with ssDNA, Product A
Descriptor: DNA (5'-D(*AP*TP*TP*CP*UP*(IUR)P*AP*AP*TP*T)-3'), DNA dC->dU-editing enzyme APOBEC-3G, ZINC ION
Authors:Cao, C, Yan, X, Lan, W, Wang, C.
Deposit date:2019-05-19
Release date:2019-06-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Investigations on the Interactions between Cytidine Deaminase Human APOBEC3G and DNA.
Chem Asian J, 14, 2019
6W8S
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BU of 6w8s by Molmil
Crystal structure of metacaspase 4 from Arabidopsis
Descriptor: Metacaspase-4, SULFATE ION
Authors:Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q.
Deposit date:2020-03-21
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.484 Å)
Cite:Structural basis for Ca2+-dependent activation of a plant metacaspase.
Nat Commun, 11, 2020
6W8T
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BU of 6w8t by Molmil
Crystal structure of metacaspase 4 from Arabidopsis (microcrystals treated with calcium)
Descriptor: Metacaspase-4, SULFATE ION
Authors:Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q.
Deposit date:2020-03-21
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for Ca2+-dependent activation of a plant metacaspase.
Nat Commun, 11, 2020
2JQC
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BU of 2jqc by Molmil
A L-amino acid mutant of a D-amino acid containing conopeptide
Descriptor: L-mr12
Authors:Huang, F, Du, W, Han, Y, Wang, C, Chi, C.
Deposit date:2007-05-31
Release date:2008-04-15
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Purification and structural characterization of a d-amino acid-containing conopeptide, conomarphin, from Conus marmoreus
Febs J., 275, 2008
6W8R
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BU of 6w8r by Molmil
Crystal structure of metacaspase 4 C139A from Arabidopsis
Descriptor: Metacaspase-4, SULFATE ION
Authors:Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q.
Deposit date:2020-03-21
Release date:2020-05-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Structural basis for Ca2+-dependent activation of a plant metacaspase.
Nat Commun, 11, 2020
8WJY
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BU of 8wjy by Molmil
PKMYT1_Cocrystal_Cpd 4
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ...
Authors:Wang, Y, Wang, C, Liu, T, Qi, H, Chen, S, Cai, X, Zhang, M, Aliper, A, Ren, F, Ding, X, Zhavoronkov, A.
Deposit date:2023-09-26
Release date:2023-11-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Discovery of Tetrahydropyrazolopyrazine Derivatives as Potent and Selective MYT1 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 67, 2024
7DHS
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BU of 7dhs by Molmil
Crystal Structure Analysis of the BRD4
Descriptor: 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R)-1-phenylethyl]benzo[cd]indol-2-one, Bromodomain-containing protein 4
Authors:Wu, T, Xiang, Q, Wang, C, Wu, C, Zhang, C, Zhang, M, Liu, Z, Zhang, Y, Xiao, L, Xu, Y.
Deposit date:2020-11-17
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Y06014 is a selective BET inhibitor for the treatment of prostate cancer.
Acta Pharmacol.Sin., 42, 2021
1Z2B
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BU of 1z2b by Molmil
Tubulin-colchicine-vinblastine: stathmin-like domain complex
Descriptor: (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, 2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-7-YL]ACETAMIDE, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Gigant, B, Wang, C, Ravelli, R.B.G, Roussi, F, Steinmetz, M.O, Curmi, P.A, Sobel, A, Knossow, M.
Deposit date:2005-03-08
Release date:2005-05-31
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Structural basis for the regulation of tubulin by vinblastine.
Nature, 435, 2005
5FBJ
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BU of 5fbj by Molmil
Complex structure of JMJD5 and substrate
Descriptor: (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, 2-OXOGLUTARIC ACID, Lysine-specific demethylase 8, ...
Authors:Liu, H.L, Wang, Y, Wang, C, Zhang, G.Y.
Deposit date:2015-12-14
Release date:2016-12-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:to be published
To Be Published
5WTB
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BU of 5wtb by Molmil
Complex Structure of Staphylococcus aureus SdrE with human complement factor H
Descriptor: Peptide from Complement factor H, Serine-aspartate repeat-containing protein E
Authors:Wu, M, Zhang, Y, Hang, T, Wang, C, Yang, Y, Zang, J, Zhang, M, Zhang, X.
Deposit date:2016-12-10
Release date:2017-07-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Staphylococcus aureus SdrE captures complement factor H's C-terminus via a novel 'close, dock, lock and latch' mechanism for complement evasion
Biochem. J., 474, 2017
5WWW
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BU of 5www by Molmil
Crystal structure of the KH1 domain of human RNA-binding E3 ubiquitin-protein ligase MEX-3C complex with RNA
Descriptor: RNA (5'-R(*GP*UP*UP*UP*AP*G)-3'), RNA-binding E3 ubiquitin-protein ligase MEX3C
Authors:Yang, L, Wang, C, Li, F, Gong, Q.
Deposit date:2017-01-05
Release date:2017-08-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:The human RNA-binding protein and E3 ligase MEX-3C binds the MEX-3-recognition element (MRE) motif with high affinity
J. Biol. Chem., 292, 2017
5WWZ
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BU of 5wwz by Molmil
Crystal structure of the KH2 domain of human RNA-binding E3 ubiquitin-protein ligase MEX-3C
Descriptor: RNA-binding E3 ubiquitin-protein ligase MEX3C, SULFATE ION
Authors:Yang, L, Wang, C, Li, F, Gong, Q.
Deposit date:2017-01-05
Release date:2017-08-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The human RNA-binding protein and E3 ligase MEX-3C binds the MEX-3-recognition element (MRE) motif with high affinity
J. Biol. Chem., 292, 2017
5WWX
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BU of 5wwx by Molmil
Crystal structure of the KH2 domain of human RNA-binding E3 ubiquitin-protein ligase MEX-3C complex with RNA
Descriptor: NICKEL (II) ION, RNA (5'-R(P*AP*GP*AP*GP*U)-3'), RNA-binding E3 ubiquitin-protein ligase MEX3C
Authors:Yang, L, Wang, C, Li, F, Gong, Q.
Deposit date:2017-01-05
Release date:2017-08-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:The human RNA-binding protein and E3 ligase MEX-3C binds the MEX-3-recognition element (MRE) motif with high affinity
J. Biol. Chem., 292, 2017
1QQW
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BU of 1qqw by Molmil
CRYSTAL STRUCTURE OF HUMAN ERYTHROCYTE CATALASE
Descriptor: CATALASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ko, T.P, Safo, M.K, Musayev, F.N, Wang, C, Wu, S.H, Abraham, D.J.
Deposit date:1999-06-09
Release date:1999-06-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure of human erythrocyte catalase.
Acta Crystallogr.,Sect.D, 56, 2000
3LD8
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BU of 3ld8 by Molmil
Structure of JMJD6 and Fab Fragments
Descriptor: Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, FE (III) ION, GLYCEROL, ...
Authors:Hong, X, Zang, J, White, J, Kappler, J.W, Wang, C, Zhang, G.
Deposit date:2010-01-12
Release date:2010-08-04
Last modified:2012-06-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Interaction of JMJD6 with single-stranded RNA.
Proc.Natl.Acad.Sci.USA, 107, 2010

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