5AEL
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![BU of 5ael by Molmil](/molmil-images/mine/5ael) | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-597 | Descriptor: | FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, {2-[3-(hex-1-yn-1-yl)pyridinium-1-yl]ethane-1,1-diyl}bis(phosphonate) | Authors: | Yang, G, Oldfield, E, No, J.H. | Deposit date: | 2014-12-26 | Release date: | 2015-10-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation. Antimicrob.Agents Chemother., 59, 2015
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5AFX
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![BU of 5afx by Molmil](/molmil-images/mine/5afx) | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-1238 | Descriptor: | FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, [1-hydroxy-2-(1-nonyl-1H-3lambda~5~-imidazol-3-yl)ethane-1,1-diyl]bis(phosphonic acid) | Authors: | Yang, G, Oldfield, E, No, J.H. | Deposit date: | 2015-01-27 | Release date: | 2015-10-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation. Antimicrob.Agents Chemother., 59, 2015
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5AHU
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![BU of 5ahu by Molmil](/molmil-images/mine/5ahu) | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-1326 | Descriptor: | FARNESYL PYROPHOSPHATE SYNTHASE, PUTATIVE, MAGNESIUM ION, ... | Authors: | Yang, G, Oldfield, E, No, J.H. | Deposit date: | 2015-02-09 | Release date: | 2015-10-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation. Antimicrob.Agents Chemother., 59, 2015
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6LQG
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![BU of 6lqg by Molmil](/molmil-images/mine/6lqg) | Human gamma-secretase in complex with small molecule Avagacestat | Descriptor: | (2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yang, G, Zhou, R, Guo, X, Lei, J, Shi, Y. | Deposit date: | 2020-01-13 | Release date: | 2021-01-27 | Last modified: | 2021-02-03 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of gamma-secretase inhibition and modulation by small molecule drugs. Cell, 184, 2021
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6LR4
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![BU of 6lr4 by Molmil](/molmil-images/mine/6lr4) | Molecular basis for inhibition of human gamma-secretase by small molecule | Descriptor: | (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yang, G, Zhou, R, Guo, X, Lei, J, Shi, Y. | Deposit date: | 2020-01-15 | Release date: | 2021-01-27 | Last modified: | 2021-02-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of gamma-secretase inhibition and modulation by small molecule drugs. Cell, 184, 2021
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7C9I
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![BU of 7c9i by Molmil](/molmil-images/mine/7c9i) | Human gamma-secretase in complex with small molecule L-685,458 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yang, G, Zhou, R, Guo, X, Lei, J, Yan, C, Shi, Y. | Deposit date: | 2020-06-05 | Release date: | 2021-01-27 | Last modified: | 2021-02-03 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of gamma-secretase inhibition and modulation by small molecule drugs. Cell, 184, 2021
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7D8X
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![BU of 7d8x by Molmil](/molmil-images/mine/7d8x) | CryoEM structure of human gamma-secretase in complex with E2012 and L685458 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yang, G, Zhou, R, Guo, X, Lei, J, Yan, C, Shi, Y. | Deposit date: | 2020-10-11 | Release date: | 2021-01-27 | Last modified: | 2021-02-03 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural basis of gamma-secretase inhibition and modulation by small molecule drugs. Cell, 184, 2021
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6IDF
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![BU of 6idf by Molmil](/molmil-images/mine/6idf) | Cryo-EM structure of gamma secretase in complex with a Notch fragment | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yang, G, Zhou, R, Zhou, Q, Guo, X, Yan, C, Ke, M, Lei, J, Shi, Y. | Deposit date: | 2018-09-09 | Release date: | 2018-12-26 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis of Notch recognition by human gamma-secretase Nature, 565, 2019
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7F09
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![BU of 7f09 by Molmil](/molmil-images/mine/7f09) | Crystal structure of the HLH-Lz domain of human TFE3 | Descriptor: | 1,2-ETHANEDIOL, Transcription factor E3, ZINC ION | Authors: | Yang, G, Li, P, Liu, Z, Wu, S, Zhuang, C, Qiao, H, Fang, P, Wang, J. | Deposit date: | 2021-06-03 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for the dimerization mechanism of human transcription factor E3. Biochem.Biophys.Res.Commun., 569, 2021
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6C2C
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![BU of 6c2c by Molmil](/molmil-images/mine/6c2c) | The molecular basis for the functional evolution of an organophosphate hydrolysing enzyme | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ZINC ION, ... | Authors: | Hong, N.-S, Jackson, C.J, Carr, P.D, Tokuriki, N, Baier, F, Yang, G. | Deposit date: | 2018-01-08 | Release date: | 2019-01-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.597 Å) | Cite: | Higher-order epistasis shapes the fitness landscape of a xenobiotic-degrading enzyme. Nat.Chem.Biol., 15, 2019
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5EH9
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![BU of 5eh9 by Molmil](/molmil-images/mine/5eh9) | Indirect contributions of mutations underlie optimization of new enzyme function | Descriptor: | 2-HYDROXYETHYL DISULFIDE, GLYCEROL, N-acyl homoserine lactonase AiiA, ... | Authors: | Hong, N.-S, Jackson, C.J, Tokuriki, N, Yang, G, Baier, F. | Deposit date: | 2015-10-28 | Release date: | 2016-09-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Conformational Tinkering Drives Evolution of a Promiscuous Activity through Indirect Mutational Effects. Biochemistry, 55, 2016
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7Y62
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![BU of 7y62 by Molmil](/molmil-images/mine/7y62) | Crystal structure of human TFEB HLHLZ domain | Descriptor: | Transcription factor EB | Authors: | Yang, G, Li, P, Lin, Y, Liu, Z, Sun, H, Zhao, Z, Fang, P, Wang, J. | Deposit date: | 2022-06-18 | Release date: | 2023-03-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A small-molecule drug inhibits autophagy gene expression through the central regulator TFEB. Proc.Natl.Acad.Sci.USA, 120, 2023
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4UIS
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![BU of 4uis by Molmil](/molmil-images/mine/4uis) | The cryoEM structure of human gamma-Secretase complex | Descriptor: | GAMMA-SECRETASE, LYSOZYME | Authors: | Sun, L, Zhao, L, Yang, G, Yan, C, Zhou, R, Zhou, X, Xie, T, Zhao, Y, Wu, S, Li, X, Shi, Y. | Deposit date: | 2015-04-03 | Release date: | 2015-06-10 | Last modified: | 2017-08-02 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structural Basis of Human Gamma-Secretase Assembly. Proc.Natl.Acad.Sci.USA, 112, 2015
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5A63
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![BU of 5a63 by Molmil](/molmil-images/mine/5a63) | Cryo-EM structure of the human gamma-secretase complex at 3.4 angstrom resolution. | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bai, X, Yan, C, Yang, G, Lu, P, Ma, D, Sun, L, Zhou, R, Scheres, S.H.W, Shi, Y. | Deposit date: | 2015-06-24 | Release date: | 2015-08-05 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | An Atomic Structure of Human Gamma-Secretase Nature, 525, 2015
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8X7Z
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![BU of 8x7z by Molmil](/molmil-images/mine/8x7z) | |
8WTZ
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![BU of 8wtz by Molmil](/molmil-images/mine/8wtz) | potassium outward rectifier channel SKOR | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Potassium channel SKOR | Authors: | Gao, X, Sun, T, Lu, Y, Jia, Y, Xu, X, Zhang, Y, Fu, P, Yang, G. | Deposit date: | 2023-10-19 | Release date: | 2024-04-10 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural changes in the conversion of an Arabidopsis outward-rectifying K + channel into an inward-rectifying channel. Plant Commun., 5, 2024
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8WUI
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![BU of 8wui by Molmil](/molmil-images/mine/8wui) | SKOR D312N L271P double mutation | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Potassium channel SKOR | Authors: | Gao, X, Sun, T, Lu, Y, Jia, Y, Xu, X, Zhang, Y, Fu, P, Yang, G. | Deposit date: | 2023-10-20 | Release date: | 2024-04-10 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural changes in the conversion of an Arabidopsis outward-rectifying K + channel into an inward-rectifying channel. Plant Commun., 5, 2024
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4R12
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![BU of 4r12 by Molmil](/molmil-images/mine/4r12) | Crystal structure of the gamma-secretase component Nicastrin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Xie, T, Yan, C, Zhou, R, Zhao, Y, Sun, L, Yang, G, Lu, P, Ma, D, Shi, Y. | Deposit date: | 2014-08-03 | Release date: | 2014-09-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of the gamma-secretase component nicastrin. Proc.Natl.Acad.Sci.USA, 111, 2014
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3G5K
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![BU of 3g5k by Molmil](/molmil-images/mine/3g5k) | Structure and activity of human mitochondrial peptide deformylase, a novel cancer target | Descriptor: | ACTINONIN, COBALT (II) ION, Peptide deformylase, ... | Authors: | Escobar-Alvarez, S, Goldgur, Y, Yang, G, Ouerfelli, O, Li, Y, Scheinberg, D.A. | Deposit date: | 2009-02-05 | Release date: | 2009-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and activity of human mitochondrial peptide deformylase, a novel cancer target J.Mol.Biol., 387, 2009
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3G5P
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![BU of 3g5p by Molmil](/molmil-images/mine/3g5p) | Structure and activity of human mitochondrial peptide deformylase, a novel cancer target | Descriptor: | COBALT (II) ION, PHOSPHATE ION, Peptide deformylase, ... | Authors: | Escobar-Alvarez, S, Goldgur, Y, Yang, G, Ouerfelli, O, Li, Y, Scheinberg, D.A. | Deposit date: | 2009-02-05 | Release date: | 2009-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and activity of human mitochondrial peptide deformylase, a novel cancer target J.Mol.Biol., 387, 2009
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1JXZ
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![BU of 1jxz by Molmil](/molmil-images/mine/1jxz) | Structure of the H90Q mutant of 4-Chlorobenzoyl-Coenzyme A Dehalogenase complexed with 4-hydroxybenzoyl-Coenzyme A (product) | Descriptor: | 4-HYDROXYBENZOYL COENZYME A, 4-chlorobenzoyl Coenzyme A dehalogenase, CALCIUM ION, ... | Authors: | Thoden, J.B, Zhang, W, Wei, Y, Luo, L, Taylor, K.L, Yang, G, Dunaway-Mariano, D, Benning, M.M, Holden, H.M. | Deposit date: | 2001-09-10 | Release date: | 2001-10-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Histidine 90 Function in 4-chlorobenzoyl-coenzyme A Dehalogenase Catalysis Biochemistry, 40, 2001
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1YM4
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![BU of 1ym4 by Molmil](/molmil-images/mine/1ym4) | Crystal structure of human beta secretase complexed with NVP-AMK640 | Descriptor: | Beta-secretase 1, NVP-AMK640 INHIBITOR | Authors: | Hanessian, S, Yun, H, Hou, Y, Yang, G, Bayrakdarian, M, Therrien, E, Moitessier, N, Roggo, S, Veenstra, S. | Deposit date: | 2005-01-20 | Release date: | 2006-01-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics J.Med.Chem., 48, 2005
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2ADU
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![BU of 2adu by Molmil](/molmil-images/mine/2adu) | Human Methionine Aminopeptidase Complex with 4-Aryl-1,2,3-triazole Inhibitor | Descriptor: | 4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE, COBALT (II) ION, Methionine aminopeptidase 2 | Authors: | Kallander, L.S, Lu, Q, Chen, W, Tomaszek, T, Yang, G, Tew, D, Meek, T.D, Hofmann, G.A, Schulz-Pritchard, C.K, Smith, W.W, Janson, C.A, Ryan, M.D, Zhang, G.F, Johanson, K.O, Kirkpatrick, R.B, Ho, T.F, Fisher, P.W, Mattern, M.R, Johnson, R.K, Hansbury, M.J, Winkler, J.D, Ward, K.W, Veber, D.F, Thompson, S.K. | Deposit date: | 2005-07-20 | Release date: | 2005-09-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 4-Aryl-1,2,3-triazole: A Novel Template for a Reversible Methionine Aminopeptidase 2 Inhibitor, Optimized To Inhibit Angiogenesis in Vivo J.Med.Chem., 48, 2005
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1YM2
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![BU of 1ym2 by Molmil](/molmil-images/mine/1ym2) | Crystal structure of human beta secretase complexed with NVP-AUR200 | Descriptor: | Beta-secretase 1, NVP-AUR200 INHIBITOR | Authors: | Hanessian, S, Yun, H, Hou, Y, Yang, G, Bayrakdarian, M, Therrien, E, Moitessier, N, Roggo, S, Veenstra, S. | Deposit date: | 2005-01-20 | Release date: | 2006-01-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics J.Med.Chem., 48, 2005
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2OAZ
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![BU of 2oaz by Molmil](/molmil-images/mine/2oaz) | Human Methionine Aminopeptidase-2 Complexed with SB-587094 | Descriptor: | COBALT (II) ION, N-(2-ISOPROPYLPHENYL)-3-[(2-THIENYLMETHYL)THIO]-1H-1,2,4-TRIAZOL-5-AMINE, human Methionine Amino Peptidase 2 | Authors: | Marino Jr, J.P, Fisher, P.W, Hofmann, G.A, Kirkpatrick, R, Janson, C.A, Johnson, R.K, Ma, C, Mattern, M, Meek, T.D, Ryan, D, Schulz, C, Smith, W.W, Tew, D.G, Tomazek Jr, T.A, Veber, D.F, Xiong, W.C, Yamamoto, Y, Yamashita, K, Yang, G, Thompson, S.K. | Deposit date: | 2006-12-18 | Release date: | 2007-06-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Highly potent inhibitors of methionine aminopeptidase-2 based on a 1,2,4-triazole pharmacophore. J.Med.Chem., 50, 2007
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