4REW
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![BU of 4rew by Molmil](/molmil-images/mine/4rew) | Crystal structure of the non-phosphorylated human alpha1 beta2 gamma1 holo-AMPK complex | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | Authors: | Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K. | Deposit date: | 2014-09-24 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (4.58 Å) | Cite: | Structural basis of AMPK regulation by adenine nucleotides and glycogen. Cell Res., 25, 2015
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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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4LV9
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![BU of 4lv9 by Molmil](/molmil-images/mine/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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6OMM
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![BU of 6omm by Molmil](/molmil-images/mine/6omm) | Cryo-EM structure of formyl peptide receptor 2/lipoxin A4 receptor in complex with Gi | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Zhuang, Y, Liu, H, de Waal, P.W, Zhou, X.E, Wang, L, Meng, X, Zhao, G, Kang, Y, Melcher, K, Xu, H.E, Zhang, C. | Deposit date: | 2019-04-19 | Release date: | 2020-02-26 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Structure of formylpeptide receptor 2-Gicomplex reveals insights into ligand recognition and signaling. Nat Commun, 11, 2020
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6P6G
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![BU of 6p6g by Molmil](/molmil-images/mine/6p6g) | Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors | Descriptor: | 5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ... | Authors: | Elkins, P.A, Wang, L. | Deposit date: | 2019-06-03 | Release date: | 2020-01-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors. Acs Med.Chem.Lett., 11, 2020
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6P6K
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![BU of 6p6k by Molmil](/molmil-images/mine/6p6k) | |
6V51
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![BU of 6v51 by Molmil](/molmil-images/mine/6v51) | Spin-labeled T4 Lysozyme (9/131FnbY)-(4-Amino-TEMPO) | Descriptor: | 4-amino-2,2,6,6-tetramethylpiperidin-1-ol, Endolysin | Authors: | Liu, J, Morizumi, T, Ou, W.L, Wang, L, Ernst, O.P. | Deposit date: | 2019-12-02 | Release date: | 2020-10-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Genetically Encoded Quinone Methides Enabling Rapid, Site-Specific, and Photocontrolled Protein Modification with Amine Reagents. J.Am.Chem.Soc., 142, 2020
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6PAF
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3MCE
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![BU of 3mce by Molmil](/molmil-images/mine/3mce) | Crystal structure of the NAC domain of alpha subunit of nascent polypeptide-associated complex(NAC) | Descriptor: | IODIDE ION, Nascent polypeptide-associated complex subunit alpha | Authors: | Wang, L.F, Zhang, W.C, Wang, L, Zhang, X.J.C, Li, X.M, Rao, Z. | Deposit date: | 2010-03-29 | Release date: | 2010-07-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.396 Å) | Cite: | Crystal structures of NAC domains of human nascent polypeptide-associated complex (NAC) and its alphaNAC subunit Protein Cell, 1, 2010
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3MCB
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![BU of 3mcb by Molmil](/molmil-images/mine/3mcb) | Crystal structure of NAC domains of human nascent polypeptide-associated complex (NAC) | Descriptor: | IODIDE ION, Nascent polypeptide-associated complex subunit alpha, Transcription factor BTF3 | Authors: | Wang, L.F, Zhang, W.C, Wang, L, Zhang, X.J.C, Li, X.M, Rao, Z. | Deposit date: | 2010-03-29 | Release date: | 2010-07-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of NAC domains of human nascent polypeptide-associated complex (NAC) and its alphaNAC subunit Protein Cell, 1, 2010
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3TKR
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![BU of 3tkr by Molmil](/molmil-images/mine/3tkr) | Crystal structure of full-length human peroxiredoxin 4 with T118E mutation | Descriptor: | Peroxiredoxin-4 | Authors: | Wang, X, Wang, L, Wang, X, Sun, F, Wang, C.-C. | Deposit date: | 2011-08-28 | Release date: | 2011-10-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural insights into the peroxidase activity and inactivation of human peroxiredoxin 4 Biochem.J., 2011
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3TKS
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![BU of 3tks by Molmil](/molmil-images/mine/3tks) | Crystal structure of full-length human peroxiredoxin 4 in three different redox states | Descriptor: | PEROXIDE ION, Peroxiredoxin-4 | Authors: | Wang, X, Wang, L, Wang, X, Sun, F, Wang, C.-C. | Deposit date: | 2011-08-28 | Release date: | 2011-10-05 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insights into the peroxidase activity and inactivation of human peroxiredoxin 4 Biochem.J., 2011
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3TKP
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![BU of 3tkp by Molmil](/molmil-images/mine/3tkp) | Crystal structure of full-length human peroxiredoxin 4 in the reduced form | Descriptor: | Peroxiredoxin-4 | Authors: | Wang, X, Wang, L, Wang, X, Sun, F, Wang, C.-C. | Deposit date: | 2011-08-28 | Release date: | 2011-10-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural insights into the peroxidase activity and inactivation of human peroxiredoxin 4 Biochem.J., 2011
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1J4I
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![BU of 1j4i by Molmil](/molmil-images/mine/1j4i) | crystal structure analysis of the FKBP12 complexed with 000308 small molecule | Descriptor: | 4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PENTANOIC ACID, FKBP12 | Authors: | Li, P, Ding, Y, Wang, L, Wu, B, Shu, C, Li, S, Shen, B, Rao, Z. | Deposit date: | 2001-09-30 | Release date: | 2003-06-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and structure-based study of new potential FKBP12 inhibitors. Biophys.J., 85, 2003
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1J4H
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![BU of 1j4h by Molmil](/molmil-images/mine/1j4h) | crystal structure analysis of the FKBP12 complexed with 000107 small molecule | Descriptor: | 3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PROPIONIC ACID ETHYL ESTER, FKBP12 | Authors: | Li, P, Ding, Y, Wang, L, Wu, B, Shu, C, Li, S, Shen, B, Rao, Z. | Deposit date: | 2001-09-30 | Release date: | 2003-06-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and structure-based study of new potential FKBP12 inhibitors. Biophys.J., 85, 2003
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3RT0
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![BU of 3rt0 by Molmil](/molmil-images/mine/3rt0) | Crystal structure of PYL10-HAB1 complex in the absence of abscisic acid (ABA) | Descriptor: | Abscisic acid receptor PYL10, MAGNESIUM ION, Protein phosphatase 2C 16 | Authors: | Hao, Q, Yin, P, Li, W, Wang, L, Yan, C, Wang, J, Yan, N. | Deposit date: | 2011-05-02 | Release date: | 2011-06-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.113 Å) | Cite: | The Molecular Basis of ABA-Independent Inhibition of PP2Cs by a Subclass of PYL Proteins Mol.Cell, 42, 2011
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3TKQ
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![BU of 3tkq by Molmil](/molmil-images/mine/3tkq) | Crystal structure of full-length human peroxiredoxin 4 with mixed conformation | Descriptor: | Peroxiredoxin-4 | Authors: | Wang, X, Wang, L, Wang, X, Sun, F, Wang, C.-C. | Deposit date: | 2011-08-28 | Release date: | 2011-10-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structural insights into the peroxidase activity and inactivation of human peroxiredoxin 4 Biochem.J., 2011
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3RT2
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![BU of 3rt2 by Molmil](/molmil-images/mine/3rt2) | Crystal structure of apo-PYL10 | Descriptor: | Abscisic acid receptor PYL10 | Authors: | Hao, Q, Yin, P, Li, W, Wang, L, Yan, C, Wang, J, Yan, N. | Deposit date: | 2011-05-02 | Release date: | 2011-06-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Molecular Basis of ABA-Independent Inhibition of PP2Cs by a Subclass of PYL Proteins Mol.Cell, 42, 2011
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2YNF
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![BU of 2ynf by Molmil](/molmil-images/mine/2ynf) | HIV-1 Reverse Transcriptase Y188L mutant in complex with inhibitor GSK560 | Descriptor: | 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, MAGNESIUM ION, ... | Authors: | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | Deposit date: | 2012-10-14 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
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2YNI
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![BU of 2yni by Molmil](/molmil-images/mine/2yni) | HIV-1 Reverse Transcriptase in complex with inhibitor GSK952 | Descriptor: | 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, MAGNESIUM ION, ... | Authors: | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | Deposit date: | 2012-10-15 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
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2YNG
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![BU of 2yng by Molmil](/molmil-images/mine/2yng) | HIV-1 Reverse Transcriptase in complex with inhibitor GSK560 | Descriptor: | 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide, MAGNESIUM ION, P51 RT, ... | Authors: | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | Deposit date: | 2012-10-14 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
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2YNH
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![BU of 2ynh by Molmil](/molmil-images/mine/2ynh) | HIV-1 Reverse Transcriptase in complex with inhibitor GSK500 | Descriptor: | 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-2-(hydroxymethyl)-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, P51 RT, ... | Authors: | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | Deposit date: | 2012-10-14 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
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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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4M6Q
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![BU of 4m6q by Molmil](/molmil-images/mine/4m6q) | Identification of Amides Derived From 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1-(5-O-phosphono-beta-D-ribofuranosyl)-N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION, ... | 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: | 2013-08-10 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.406 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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4M6P
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![BU of 4m6p by Molmil](/molmil-images/mine/4m6p) | Identification of Amides Derived From 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | N-[4-(phenylsulfonyl)benzyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | 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: | 2013-08-10 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 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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