8KCP
 
 | | Cryo-EM structure of human gamma-secretase in complex with Crenigacestat | | 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: | Guo, X, Li, H, Kai, U, Yan, C, Lei, J, Zhou, R, Shi, Y. | | Deposit date: | 2023-08-08 | | Release date: | 2024-08-14 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of human gamma-secretase inhibition by anticancer clinical compounds.
Nat.Struct.Mol.Biol., 32, 2025
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8KCO
 | | Cryo-EM structure of human gamma-secretase in complex with RO4929097 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Guo, X, Li, H, Kai, U, Yan, C, Lei, J, Zhou, R, Shi, Y. | | Deposit date: | 2023-08-08 | | Release date: | 2024-08-14 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis of human gamma-secretase inhibition by anticancer clinical compounds.
Nat.Struct.Mol.Biol., 32, 2025
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8KCU
 | | Cryo-EM structure of human gamma-secretase in complex with MK-0752 | | 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: | Guo, X, Li, H, Kai, U, Yan, C, Lei, J, Zhou, R, Shi, Y. | | Deposit date: | 2023-08-08 | | Release date: | 2024-08-14 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural basis of human gamma-secretase inhibition by anticancer clinical compounds.
Nat.Struct.Mol.Biol., 32, 2025
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8KCT
 | | Cryo-EM structure of human gamma-secretase in complex with Nirogacestat | | 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: | Guo, X, Li, H, Kai, U, Yan, C, Lei, J, Zhou, R, Shi, Y. | | Deposit date: | 2023-08-08 | | Release date: | 2024-08-14 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural basis of human gamma-secretase inhibition by anticancer clinical compounds.
Nat.Struct.Mol.Biol., 32, 2025
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8KCS
 | | Cryo-EM structure of human gamma-secretase in complex with BMS906024 | | 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: | Guo, X, Li, H, Kai, U, Yan, C, Lei, J, Zhou, R, Shi, Y. | | Deposit date: | 2023-08-08 | | Release date: | 2024-08-14 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Structural basis of human gamma-secretase inhibition by anticancer clinical compounds.
Nat.Struct.Mol.Biol., 32, 2025
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8X54
 | | Cryo-EM structure of human gamma-secretase in complex with APP-C99 | | 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: | Guo, X, Yan, C, Lei, J, Zhou, R, Shi, Y. | | Deposit date: | 2023-11-16 | | Release date: | 2024-05-29 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Molecular mechanism of substrate recognition and cleavage by human gamma-secretase.
Science, 384, 2024
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8X52
 | | Cryo-EM structure of human gamma-secretase in complex with Abeta49 | | 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: | Guo, X, Yan, C, Lei, J, Zhou, R, Shi, Y. | | Deposit date: | 2023-11-16 | | Release date: | 2024-05-29 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Molecular mechanism of substrate recognition and cleavage by human gamma-secretase.
Science, 384, 2024
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8X53
 | | Cryo-EM structure of human gamma-secretase in complex with Abeta46 | | 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: | Guo, X, Yan, C, Lei, J, Zhou, R, Shi, Y. | | Deposit date: | 2023-11-16 | | Release date: | 2024-05-29 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Molecular mechanism of substrate recognition and cleavage by human gamma-secretase.
Science, 384, 2024
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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: | 2025-06-25 | | 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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7C7S
 | | Cryo-EM structure of the CGP54626-bound human GABA(B) receptor in inactive state. | | Descriptor: | (R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid type B receptor subunit 1, ... | | Authors: | Mao, C, Shen, C, Li, C, Shen, D, Xu, C, Zhang, S, Zhou, R, Shen, Q, Chen, L, Jiang, Z, Liu, J, Zhang, Y. | | Deposit date: | 2020-05-26 | | Release date: | 2020-07-01 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM structures of inactive and active GABABreceptor.
Cell Res., 30, 2020
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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: | 2025-07-02 | | 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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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: | 2025-06-18 | | 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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7C7Q
 | | Cryo-EM structure of the baclofen/BHFF-bound human GABA(B) receptor in active state | | Descriptor: | (3S)-5,7-ditert-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid type B receptor subunit 1, ... | | Authors: | Mao, C, Shen, C, Li, C, Shen, D, Xu, C, Zhang, S, Zhou, R, Shen, Q, Chen, L, Jiang, Z, Liu, J, Zhang, Y. | | Deposit date: | 2020-05-26 | | Release date: | 2020-07-01 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryo-EM structures of inactive and active GABABreceptor.
Cell Res., 30, 2020
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7C22
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2MWA
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2MWF
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2MWB
 | | FBP28 WW2 mutant W457F | | Descriptor: | Transcription elongation regulator 1 | | Authors: | Macias, M.J, Scheraga, H, Sunol, D, Todorovski, T. | | Deposit date: | 2014-11-03 | | Release date: | 2014-12-03 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements.
Proc.Natl.Acad.Sci.USA, 111, 2014
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2MWD
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2MW9
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2MWE
 | | NMR structure of FBP28 WW2 mutant Y438R, L453A DNDC | | Descriptor: | Transcription elongation regulator 1 | | Authors: | Macias, M.J, Scheraga, H, Sunol, D, Todorovski, T. | | Deposit date: | 2014-11-04 | | Release date: | 2014-12-03 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements.
Proc.Natl.Acad.Sci.USA, 111, 2014
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3TKT
 | | Crystal structure of CYP108D1 from Novosphingobium aromaticivorans DSM12444 | | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yang, W, Bell, S.G, Wang, H, Zhou, W, Bartlam, M, Wong, L.-L, Rao, Z. | | Deposit date: | 2011-08-29 | | Release date: | 2012-02-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and function of CYP108D1 from Novosphingobium aromaticivorans DSM12444: an aromatic hydrocarbon-binding P450 enzyme
Acta Crystallogr.,Sect.D, 68, 2012
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3KXW
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3MK6
 | | Substrate and Inhibitor Binding to Pank | | Descriptor: | ACETYL COENZYME *A, GLYCEROL, Pantothenate kinase 3 | | Authors: | Yun, M.-K, White, S.W. | | Deposit date: | 2010-04-14 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Modulation of Pantothenate Kinase 3 Activity by Small Molecules that Interact with the Substrate/Allosteric Regulatory Domain.
Chem.Biol., 17, 2010
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3LNV
 | | The crystal structure of fatty acyl-adenylate ligase from L. pneumophila in complex with acyl adenylate and pyrophosphate | | Descriptor: | 5'-O-[(S)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine, PYROPHOSPHATE 2-, Saframycin Mx1 synthetase B | | Authors: | Zhang, Z, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2010-02-03 | | Release date: | 2010-04-07 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and Functional Studies of Fatty Acyl Adenylate Ligases from E. coli and L. pneumophila.
J.Mol.Biol., 406, 2011
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5UGC
 | | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | | Descriptor: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ... | | Authors: | Gajiwala, K.S, Ferre, R.A. | | Deposit date: | 2017-01-08 | | Release date: | 2017-03-22 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
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