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6IDF
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BU of 6idf by Molmil
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
5AFX
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BU of 5afx by Molmil
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
5AEL
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BU of 5ael by Molmil
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
5AHU
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BU of 5ahu by Molmil
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
6LQG
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BU of 6lqg by Molmil
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
6LR4
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BU of 6lr4 by Molmil
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
7F09
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BU of 7f09 by Molmil
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
7C9I
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BU of 7c9i by Molmil
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
7D8X
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BU of 7d8x by Molmil
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
9CGI
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BU of 9cgi by Molmil
Cryo-EM structure of the Nipah Virus polymerase (L) protein in complex with the tetrameric phosphoprotein (P)
Descriptor: Phosphoprotein, RNA-directed RNA polymerase L
Authors:Liu, B, Yang, G, Wang, D.
Deposit date:2024-06-29
Release date:2024-09-18
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Structure of the Nipah virus polymerase phosphoprotein complex.
Nat Commun, 2024
6C2C
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BU of 6c2c by Molmil
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
5EH9
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BU of 5eh9 by Molmil
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
7Y62
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BU of 7y62 by Molmil
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
4R12
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BU of 4r12 by Molmil
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
4UIS
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BU of 4uis by Molmil
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
1JXZ
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BU of 1jxz by Molmil
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
3G5P
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BU of 3g5p by Molmil
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
3G5K
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BU of 3g5k by Molmil
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
5A63
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BU of 5a63 by Molmil
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
1YM2
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BU of 1ym2 by Molmil
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
1YM4
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BU of 1ym4 by Molmil
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
2ADU
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BU of 2adu by Molmil
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
8K9X
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BU of 8k9x by Molmil
Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 5 (ADKI5)
Descriptor: (2~{S})-2,6-bis(azanyl)-~{N}-[3-[2-[[4-[(2,5-dimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]sulfonylpropyl]hexanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lysine--tRNA ligase
Authors:Zhou, J, Xia, M, Yang, G, Li, P, Fang, P.
Deposit date:2023-08-01
Release date:2024-06-26
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Commun Biol, 7, 2024
8K9V
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BU of 8k9v by Molmil
Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 3 (ADKI3)
Descriptor: GLYCEROL, LYSINE, Lysine--tRNA ligase, ...
Authors:Zhou, J, Xia, M, Yang, G, Li, P, Fang, P.
Deposit date:2023-08-01
Release date:2024-06-26
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Commun Biol, 7, 2024
8K9S
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BU of 8k9s by Molmil
Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 1 (ADKI1)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, LYSINE, Lysine--tRNA ligase, ...
Authors:Zhou, J, Xia, M, Yang, G, Li, P, Fang, P.
Deposit date:2023-08-01
Release date:2024-06-26
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors.
Commun Biol, 7, 2024

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