4KFP
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![BU of 4kfp by Molmil](/molmil-images/mine/4kfp) | Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived Ureas as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1,2-ETHANEDIOL, N-(4-{[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]sulfonyl}benzyl)-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Dragovich, P.S, Bair, K.W, Baumeister, T, Ho, Y, Liederer, B.M, Liu, X, O'Brien, T, Oeh, J, Sampath, D, Skelton, N, Wang, L, Wang, W, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhang, L, Zheng, X. | Deposit date: | 2013-04-27 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived ureas as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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2F7X
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![BU of 2f7x by Molmil](/molmil-images/mine/2f7x) | Protein Kinase A bound to (S)-2-(1H-Indol-3-yl)-1-[5-((E)-2-pyridin-4-yl-vinyl)-pyridin-3-yloxymethyl]-ethylamine | Descriptor: | (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE, PKI, inhibitory peptide, ... | Authors: | Li, Q, Li, T, Zhu, G.D, Gong, J, Claibone, A, Dalton, C, Luo, Y, Johnson, E.F, Shi, Y, Liu, X, Klinghofer, V, Bauch, J.L, Marsh, K.C, Bouska, J.J, Arries, S, De Jong, R, Oltersdorf, T, Stoll, V.S, Jakob, C.G, Rosenberg, S.H, Giranda, V.L. | Deposit date: | 2005-12-01 | Release date: | 2006-06-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of trans-3,4'-bispyridinylethylenes as potent and novel inhibitors of protein kinase B (PKB/Akt) for the treatment of cancer: Synthesis and biological evaluation. Bioorg.Med.Chem.Lett., 16, 2006
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8K0X
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![BU of 8k0x by Molmil](/molmil-images/mine/8k0x) | ABCG25 Wild Type purified with DDM in the ABA-bound state | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABC transporter G family member 25 | Authors: | Sun, L, Liu, X, Ying, W, Liao, L, Wei, H. | Deposit date: | 2023-07-10 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | ABCG25 Wild Type purified with DDM in the ABA-bound state To Be Published
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8K0Z
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![BU of 8k0z by Molmil](/molmil-images/mine/8k0z) | |
1CZA
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![BU of 1cza by Molmil](/molmil-images/mine/1cza) | MUTANT MONOMER OF RECOMBINANT HUMAN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE, GLUCOSE-6-PHOSPHATE, AND ADP | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, HEXOKINASE TYPE I, ... | Authors: | Aleshin, A.E, Liu, X, Kirby, C, Bourenkov, G.P, Bartunik, H.D, Fromm, H.J, Honzatko, R.B. | Deposit date: | 1999-09-01 | Release date: | 2000-03-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of mutant monomeric hexokinase I reveal multiple ADP binding sites and conformational changes relevant to allosteric regulation. J.Mol.Biol., 296, 2000
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4X0V
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![BU of 4x0v by Molmil](/molmil-images/mine/4x0v) | Structure of a GH5 family lichenase from Caldicellulosiruptor sp. F32 | Descriptor: | Beta-1,3-1,4-glucanase | Authors: | Meng, D, Liu, X, Wang, X, Li, F, Feng, Y. | Deposit date: | 2014-11-24 | Release date: | 2015-11-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.798 Å) | Cite: | Structural Insights into the Substrate Specificity of a Glycoside Hydrolase Family 5 Lichenase from Caldicellulosiruptor sp. F32 Biochem. J., 2017
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1DGK
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![BU of 1dgk by Molmil](/molmil-images/mine/1dgk) | MUTANT MONOMER OF RECOMBINANT HUMAN HEXOKINASE TYPE I WITH GLUCOSE AND ADP IN THE ACTIVE SITE | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HEXOKINASE TYPE I, PHOSPHATE ION, ... | Authors: | Aleshin, A.E, Liu, X, Kirby, C, Bourenkov, G.P, Bartunik, H.D, Fromm, H.J, Honzatko, R.B. | Deposit date: | 1999-11-24 | Release date: | 2000-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of mutant monomeric hexokinase I reveal multiple ADP binding sites and conformational changes relevant to allosteric regulation. J.Mol.Biol., 296, 2000
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1CS7
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![BU of 1cs7 by Molmil](/molmil-images/mine/1cs7) | SYNTHETIC DNA HAIRPIN WITH STILBENEDIETHER LINKER | Descriptor: | 5'-D(GP*(BRU)P*TP*TP*TP*GP*(S02)*CP*AP*AP*AP*AP*C)-3', STRONTIUM ION | Authors: | Lewis, F.D, Liu, X, Wu, Y, Miller, S.E, Wasielewski, M.R, Letsinger, R.L, Sanishvili, R, Joachimiak, A, Tereshko, V, Egli, M. | Deposit date: | 1999-08-17 | Release date: | 2001-10-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure and Photoinduced Electron Transfer in Exceptionally Stable Synthetic DNA Hairpins with Stilbenediether Linkers J.Am.Chem.Soc., 121, 1999
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1DXA
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![BU of 1dxa by Molmil](/molmil-images/mine/1dxa) | BENZO[A]PYRENE DIOL EPOXIDE ADDUCT OF DA IN DUPLEX DNA | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA (5'-D(*CP*TP*CP*GP*GP*GP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*CP*AP*CP*GP*AP*G)-3') | Authors: | Yeh, H.J.C, Sayer, J.M, Liu, X, Altieri, A.S, Byrd, R.A, Lakshman, M.K, Yagi, H, Schurter, E.J, Gorenstein, D.G, Jerina, D.M. | Deposit date: | 1995-09-01 | Release date: | 1995-12-07 | Last modified: | 2024-03-13 | Method: | SOLUTION NMR | Cite: | NMR solution structure of a nonanucleotide duplex with a dG mismatch opposite a 10S adduct derived from trans addition of a deoxyadenosine N6-amino group to (+)-(7R,8S,9S,10R)-7,8-dihydroxy-9,10-epoxy-7,8,9,10- tetrahydrobenzo[a]pyrene: an unusual syn glycosidic torsion angle at the modified dA Biochemistry, 34, 1995
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2YEW
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![BU of 2yew by Molmil](/molmil-images/mine/2yew) | Modeling Barmah Forest virus structural proteins | Descriptor: | CAPSID PROTEIN, E1 ENVELOPE GLYCOPROTEIN, E2 ENVELOPE GLYCOPROTEIN | Authors: | Kostyuchenko, V.A, Jakana, J, Liu, X, Haddow, A.D, Aung, M, Weaver, S.C, Chiu, W, Lok, S.M. | Deposit date: | 2011-03-31 | Release date: | 2012-04-18 | Last modified: | 2019-10-23 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | The Structure of Barmah Forest Virus as Revealed by Cryo-Electron Microscopy at a 6-Angstrom Resolution Has Detailed Transmembrane Protein Architecture and Interactions. J.Virol., 85, 2011
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4EQ8
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![BU of 4eq8 by Molmil](/molmil-images/mine/4eq8) | Crystal structure of PA1844 from Pseudomonas aeruginosa PAO1 | Descriptor: | GLYCEROL, Putative uncharacterized protein | Authors: | Shang, G, Li, N, Zhang, J, Lu, D, Yu, Q, Zhao, Y, Liu, X, Xu, S, Gu, L. | Deposit date: | 2012-04-18 | Release date: | 2012-09-12 | Last modified: | 2013-07-24 | Method: | X-RAY DIFFRACTION (1.392 Å) | Cite: | Structural insight into how Pseudomonas aeruginosa peptidoglycanhydrolase Tse1 and its immunity protein Tsi1 function. Biochem.J., 448, 2012
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4EQA
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![BU of 4eqa by Molmil](/molmil-images/mine/4eqa) | Crystal structure of PA1844 in complex with PA1845 from Pseudomonas aeruginosa PAO1 | Descriptor: | Putative uncharacterized protein | Authors: | Shang, G, Li, N, Zhang, J, Lu, D, Yu, Q, Zhao, Y, Liu, X, Xu, S, Gu, L. | Deposit date: | 2012-04-18 | Release date: | 2012-09-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insight into how Pseudomonas aeruginosa peptidoglycanhydrolase Tse1 and its immunity protein Tsi1 function. Biochem.J., 448, 2012
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2ZBB
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![BU of 2zbb by Molmil](/molmil-images/mine/2zbb) | P43 crystal of DctBp | Descriptor: | C4-dicarboxylate transport sensor protein dctB, MALONIC ACID | Authors: | Zhou, Y.F, Nan, B.Y, Liu, X, Nan, J, Liang, Y.H, Panjikar, S, Ma, Q.J, Wang, Y.P, Su, X.-D. | Deposit date: | 2007-10-18 | Release date: | 2008-11-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | crystal structures of sensory histidine kinase DctBp to be published
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3CXP
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![BU of 3cxp by Molmil](/molmil-images/mine/3cxp) | Crystal structure of human glucosamine 6-phosphate N-acetyltransferase 1 mutant E156A | Descriptor: | CHLORIDE ION, Glucosamine 6-phosphate N-acetyltransferase | Authors: | Wang, J, Liu, X, Li, L.-F, Su, X.-D. | Deposit date: | 2008-04-25 | Release date: | 2008-09-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Acceptor substrate binding revealed by crystal structure of human glucosamine-6-phosphate N-acetyltransferase 1 Febs Lett., 582, 2008
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3CXQ
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![BU of 3cxq by Molmil](/molmil-images/mine/3cxq) | Crystal structure of human glucosamine 6-phosphate N-acetyltransferase 1 bound to GlcN6P | Descriptor: | 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, Glucosamine 6-phosphate N-acetyltransferase | Authors: | Wang, J, Liu, X, Li, L.-F, Su, X.-D. | Deposit date: | 2008-04-25 | Release date: | 2008-09-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Acceptor substrate binding revealed by crystal structure of human glucosamine-6-phosphate N-acetyltransferase 1 Febs Lett., 582, 2008
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3CXS
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![BU of 3cxs by Molmil](/molmil-images/mine/3cxs) | Crystal structure of human GNA1 | Descriptor: | Glucosamine 6-phosphate N-acetyltransferase | Authors: | Wang, J, Liu, X, Li, L.-F, Su, X.-D. | Deposit date: | 2008-04-25 | Release date: | 2008-09-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Acceptor substrate binding revealed by crystal structure of human glucosamine-6-phosphate N-acetyltransferase 1 Febs Lett., 582, 2008
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3SR7
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![BU of 3sr7 by Molmil](/molmil-images/mine/3sr7) | |
3SQZ
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![BU of 3sqz by Molmil](/molmil-images/mine/3sqz) | |
5F5M
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![BU of 5f5m by Molmil](/molmil-images/mine/5f5m) | Crystal structure of Marburg virus nucleoprotein core domain | Descriptor: | Nucleoprotein | Authors: | Guo, Y, Liu, B.C, Liu, X, Li, G.B, Wang, W.M, Dong, S.S, Wang, W.J. | Deposit date: | 2015-12-04 | Release date: | 2017-05-31 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.902 Å) | Cite: | Structural Insight into Nucleoprotein Conformation Change Chaperoned by VP35 Peptide in Marburg Virus J. Virol., 91, 2017
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5F5O
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![BU of 5f5o by Molmil](/molmil-images/mine/5f5o) | Crystal structure of Marburg virus nucleoprotein core domain bound to VP35 regulation peptide | Descriptor: | Nucleoprotein, Peptide from Polymerase cofactor VP35, SULFATE ION | Authors: | Guo, Y, Liu, B.C, Liu, X, Li, G.B, Wang, W.M, Dong, S.S, Wang, W.J. | Deposit date: | 2015-12-04 | Release date: | 2017-05-31 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Insight into Nucleoprotein Conformation Change Chaperoned by VP35 Peptide in Marburg Virus J. Virol., 91, 2017
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4QQR
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![BU of 4qqr by Molmil](/molmil-images/mine/4qqr) | |
4ROU
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![BU of 4rou by Molmil](/molmil-images/mine/4rou) | |
5T4D
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![BU of 5t4d by Molmil](/molmil-images/mine/5t4d) | Cryo-EM structure of Polycystic Kidney Disease protein 2 (PKD2), residues 198-703 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, hPKD:198-703, Polycystin-2 | Authors: | Shen, P.S, Yang, X, DeCaen, P.G, Liu, X, Bulkley, D, Clapham, D.E, Cao, E. | Deposit date: | 2016-08-29 | Release date: | 2016-11-02 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | The Structure of the Polycystic Kidney Disease Channel PKD2 in Lipid Nanodiscs. Cell, 167, 2016
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5BJS
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![BU of 5bjs by Molmil](/molmil-images/mine/5bjs) | Apo ctPRC2 in an autoinhibited state | Descriptor: | Histone-lysine N-methyltransferase EZH2, Polycomb protein SUZ12, Polycomb Protein EED, ... | Authors: | Bratkowski, M.A, Liu, X. | Deposit date: | 2016-10-22 | Release date: | 2017-06-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.189 Å) | Cite: | Polycomb repressive complex 2 in an autoinhibited state. J. Biol. Chem., 292, 2017
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3WB8
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![BU of 3wb8 by Molmil](/molmil-images/mine/3wb8) | Crystal Structure of MyoVa-GTD | Descriptor: | 1,2-ETHANEDIOL, Unconventional myosin-Va | Authors: | Wei, Z, Liu, X, Yu, C, Zhang, M. | Deposit date: | 2013-05-13 | Release date: | 2013-07-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | Structural basis of cargo recognitions for class V myosins Proc.Natl.Acad.Sci.USA, 110, 2013
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