3QK0
 
 | | Crystal structure of PI3K-gamma in complex with benzothiazole 82 | | Descriptor: | N-[6-(6-chloro-5-{[(4-fluorophenyl)sulfonyl]amino}pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2011-01-31 | | Release date: | 2011-03-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors.
J.Med.Chem., 54, 2011
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7DR7
 | | bovine 20S immunoproteasome | | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2020-12-26 | | Release date: | 2021-01-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM of mammalian PA28 alpha beta-iCP immunoproteasome reveals a distinct mechanism of proteasome activation by PA28 alpha beta.
Nat Commun, 12, 2021
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7DRW
 | | Bovine 20S immunoproteasome in complex with two human PA28alpha-beta activators | | Descriptor: | Proteasome activator complex subunit 1, Proteasome activator complex subunit 2, Proteasome subunit alpha type-1, ... | | Authors: | Cong, Y, Xu, C. | | Deposit date: | 2020-12-29 | | Release date: | 2021-01-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Cryo-EM of mammalian PA28 alpha beta-iCP immunoproteasome reveals a distinct mechanism of proteasome activation by PA28 alpha beta.
Nat Commun, 12, 2021
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4DOM
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7DR6
 | | PA28alpha-beta in complex with immunoproteasome | | Descriptor: | Proteasome activator complex subunit 1, Proteasome activator complex subunit 2, Proteasome subunit alpha type-1, ... | | Authors: | Cong, Y, Xu, C. | | Deposit date: | 2020-12-26 | | Release date: | 2021-01-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Cryo-EM of mammalian PA28 alpha beta-iCP immunoproteasome reveals a distinct mechanism of proteasome activation by PA28 alpha beta.
Nat Commun, 12, 2021
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7F3H
 | | Crystal structure of cytochrome P450DA heme domain | | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, SERINE, ... | | Authors: | Wan, N.W. | | Deposit date: | 2021-06-16 | | Release date: | 2021-07-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Directed evolution of cytochrome P450DA hydroxylase activity for stereoselective biohydroxylation
Catalysis Science And Technology, 12, 2022
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3QJZ
 | | Crystal structure of PI3K-gamma in complex with benzothiazole 1 | | Descriptor: | N-{6-[2-(methylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl}acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2011-01-31 | | Release date: | 2011-03-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors.
J.Med.Chem., 54, 2011
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7T5F
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6AFR
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with 5-((4-fluoro-1H-imidazol-1-yl)methyl)quinolin-8-ol | | Descriptor: | 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol, Bromodomain-containing protein 4 | | Authors: | Xing, J, Zhang, R.K, Zheng, M.Y, Luo, C, Jiang, X.R. | | Deposit date: | 2018-08-08 | | Release date: | 2018-12-12 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.998 Å) | | Cite: | Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors
Eur J Med Chem, 163, 2018
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6ATK
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6LDI
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6LFZ
 | | Crystal structure of SbCGTb in complex with UDPG | | Descriptor: | SbCGTb, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | Authors: | Gao, H.M, Yun, C.H. | | Deposit date: | 2019-12-04 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.866 Å) | | Cite: | Dissection of the general two-step di- C -glycosylation pathway for the biosynthesis of (iso)schaftosides in higher plants.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6LF6
 | | Crystal structure of ZmCGTa in complex with UDP | | Descriptor: | UDP-glycosyltransferase 708A6, URIDINE-5'-DIPHOSPHATE | | Authors: | Gao, H.M, Yun, C.H. | | Deposit date: | 2019-11-29 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.044 Å) | | Cite: | Dissection of the general two-step di- C -glycosylation pathway for the biosynthesis of (iso)schaftosides in higher plants.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6LG1
 | | Crystal structure of LpCGTa in complex with UDP | | Descriptor: | LpCGTa, URIDINE-5'-DIPHOSPHATE | | Authors: | Gao, H.M, Yun, C.H. | | Deposit date: | 2019-12-04 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.047 Å) | | Cite: | Dissection of the general two-step di- C -glycosylation pathway for the biosynthesis of (iso)schaftosides in higher plants.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6LG0
 | | Crystal structure of SbCGTa in complex with UDP | | Descriptor: | SbCGTa, URIDINE-5'-DIPHOSPHATE | | Authors: | Gao, H.M, Yun, C.H. | | Deposit date: | 2019-12-04 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.998 Å) | | Cite: | Dissection of the general two-step di- C -glycosylation pathway for the biosynthesis of (iso)schaftosides in higher plants.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6LFN
 | | Crystal structure of LpCGTb | | Descriptor: | LpCGTb, PHOSPHATE ION | | Authors: | Gao, H.M, Yun, C.H. | | Deposit date: | 2019-12-03 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.395 Å) | | Cite: | Dissection of the general two-step di- C -glycosylation pathway for the biosynthesis of (iso)schaftosides in higher plants.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7WAT
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7Y47
 | | Crystal structure of bifunctional miltiradiene synthase from selaginella moellendorffii that complexed with GGPP | | Descriptor: | Bifunctional diterpene synthase, chloroplastic, GERANYLGERANYL DIPHOSPHATE, ... | | Authors: | Ma, X, Tao, Y, Jiang, T. | | Deposit date: | 2022-06-14 | | Release date: | 2022-10-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and mechanistic insights into the precise product synthesis by a bifunctional miltiradiene synthase.
Plant Biotechnol J, 21, 2023
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7DNC
 | | Crystal structure of EV71 3C proteinase in complex with a novel inhibitor | | Descriptor: | 3C protease, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | | Authors: | Xie, H, Su, H.X, Li, M.J, Xu, Y.C. | | Deposit date: | 2020-12-09 | | Release date: | 2021-05-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2.
J.Med.Chem., 65, 2022
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7DK3
 | | SARS-CoV-2 S trimer, S-open | | Descriptor: | Spike glycoprotein | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2020-11-23 | | Release date: | 2020-12-16 | | Last modified: | 2021-02-17 | | Method: | ELECTRON MICROSCOPY (6 Å) | | Cite: | Conformational dynamics of SARS-CoV-2 trimeric spike glycoprotein in complex with receptor ACE2 revealed by cryo-EM.
Sci Adv, 7, 2021
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7C17
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7EFX
 | | Crystal Structure of human PIN1 complexed with covalent inhibitor | | Descriptor: | 4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Liu, L, Li, J, Zhu, R, Pei, Y. | | Deposit date: | 2021-03-23 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
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7EKV
 | | Crystal Structure of human Pin1 complexed with a covalent inhibitor | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 8-(2-chloroacetyl)-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Liu, L, Li, J. | | Deposit date: | 2021-04-06 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
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7EFJ
 | | Crystal Structure Analysis of human PIN1 | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Liu, L, Li, J. | | Deposit date: | 2021-03-21 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.992 Å) | | Cite: | Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
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7DF4
 | | SARS-CoV-2 S-ACE2 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Cong, X, Yao, C. | | Deposit date: | 2020-11-06 | | Release date: | 2020-12-16 | | Last modified: | 2021-02-17 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Conformational dynamics of SARS-CoV-2 trimeric spike glycoprotein in complex with receptor ACE2 revealed by cryo-EM.
Sci Adv, 7, 2021
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