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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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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5ZOI
 | | Crystal Structure of alpha1,3-Fucosyltransferase | | Descriptor: | Alpha-(1,3)-fucosyltransferase FucT, [[(2S,3R,4S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate | | Authors: | Tan, Y, Yang, G. | | Deposit date: | 2018-04-13 | | Release date: | 2019-06-26 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Directed evolution of an alpha 1,3-fucosyltransferase using a single-cell ultrahigh-throughput screening method.
Sci Adv, 5, 2019
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7YD3
 | | Single-chain variable fragment of app 3D1 antibody | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Yan, L, Yang, G. | | Deposit date: | 2022-07-03 | | Release date: | 2023-07-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Cross-reactive epitopes between HIV and Coronavirus revealed by 3D1
To Be Published
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7YI6
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8IOY
 | | Structure of ATP7B C983S/C985S/D1027A mutant with AMP-PNP | | Descriptor: | Copper-transporting ATPase 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Yang, G, Xu, L, Guo, J, Wu, Z. | | Deposit date: | 2023-03-13 | | Release date: | 2023-04-26 | | Last modified: | 2023-05-03 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structures of the human Wilson disease copper transporter ATP7B.
Cell Rep, 42, 2023
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5EHT
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7D39
 | | FLR-apo | | Descriptor: | Cd1, FLAVIN MONONUCLEOTIDE | | Authors: | Hong, S, Yang, G.H, Zhang, P. | | Deposit date: | 2020-09-18 | | Release date: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
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7D38
 | | flavone reductase | | Descriptor: | Cd1, FLAVIN MONONUCLEOTIDE, chrysin | | Authors: | Hong, S, Yang, G.H, Zhang, P. | | Deposit date: | 2020-09-18 | | Release date: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (2.649 Å) | | Cite: | Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
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7D3B
 | | flavone reductase | | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, Cd1, FLAVIN MONONUCLEOTIDE | | Authors: | Hong, S, Yang, G.H, Zhang, P. | | Deposit date: | 2020-09-18 | | Release date: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
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7D3A
 | | flavone reductase | | Descriptor: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Cd1, FLAVIN MONONUCLEOTIDE | | Authors: | Hong, S, Yang, G.H, Zhang, P. | | Deposit date: | 2020-09-18 | | Release date: | 2021-03-03 | | Last modified: | 2021-09-29 | | Method: | X-RAY DIFFRACTION (2.552 Å) | | Cite: | Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
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4N0S
 | | Complex of ERK2 with caffeic acid | | Descriptor: | CAFFEIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Kurinov, I, Malakhova, M. | | Deposit date: | 2013-10-02 | | Release date: | 2014-08-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7992 Å) | | Cite: | Caffeic Acid Directly Targets ERK1/2 to Attenuate Solar UV-Induced Skin Carcinogenesis.
Cancer Prev Res (Phila), 7, 2014
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1B6I
 | | T4 LYSOZYME MUTANT WITH CYS 54 REPLACED BY THR, CYS 97 REPLACED BY ALA, THR 21 REPLACED BY CYS AND LYS 124 REPLACED BY CYS (C54T,C97A,T21C,K124C) | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, PROTEIN (LYSOZYME) | | Authors: | Vetter, I.R, Baase, W.A, Snow, S, Matthews, B.W. | | Deposit date: | 1999-01-14 | | Release date: | 2000-01-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Solid-state synthesis and mechanical unfolding of polymers of T4 lysozyme.
Proc.Natl.Acad.Sci.USA, 97, 2000
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7XUK
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7XUM
 | | Structure of ATP7B C983S/C985S/D1027A mutant with Cu+ in presence of ATOX1 | | Descriptor: | COPPER (II) ION, Copper-transporting ATPase 2 | | Authors: | Yang, G, Xu, L, Chang, S, Guo, J, Wu, Z. | | Deposit date: | 2022-05-19 | | Release date: | 2023-05-03 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structures of the human Wilson disease copper transporter ATP7B.
Cell Rep, 42, 2023
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7XUN
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7XUO
 | | Structure of ATP7B C983S/C985S/D1027A mutant with cisplatin in presence of ATOX1 | | Descriptor: | Copper-transporting ATPase 2, PLATINUM (II) ION | | Authors: | Yang, G, Xu, L, Chang, S, Guo, J, Wu, Z. | | Deposit date: | 2022-05-19 | | Release date: | 2023-04-26 | | Last modified: | 2023-05-03 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structures of the human Wilson disease copper transporter ATP7B.
Cell Rep, 42, 2023
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5QCS
 | | Crystal structure of BACE complex with BMC024 | | Descriptor: | (2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL- 4-((E)-(4AS,12R,15S,17AS)-15-METHYL -14,17-DIOXO-2,3,4,4A,6,9,11,12,13, 14,15,16,17,17A-TETRADECAHYDRO-1H-5 ,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL OPENTADECEN-12-YL)-BUTYRAMIDE, Beta-secretase 1 | | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-12-01 | | Release date: | 2020-06-03 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
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4PY4
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7PT2
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7PT3
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7PT1
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7PT4
 | | Actinobacterial 2-hydroxyacyl-CoA lyase (AcHACL) structure in complex with a covalently bound reaction intermediate as well as products formyl-CoA and acetone | | Descriptor: | 2-hydroxyacyl-CoA lyase, 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1R,11R,15S,17R)-19-[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]-1,11,15,17-TETRAHYDROXY-12,12-DIMETHYL-15,17-DIOXIDO-6,10-DIOXO-14,16,18-TRIOXA-2-THIA-5,9-DIAZA-15,17-DIPHOSPHANONADEC-1-YL}-5-(2-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, ACETONE, ... | | Authors: | Zahn, M, Rohwerder, T. | | Deposit date: | 2021-09-25 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Mechanistic details of the actinobacterial lyase-catalyzed degradation reaction of 2-hydroxyisobutyryl-CoA.
J.Biol.Chem., 298, 2022
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7FCV
 | | Cryo-EM structure of the Potassium channel AKT1 mutant from Arabidopsis thaliana | | Descriptor: | PHOSPHATIDYLETHANOLAMINE, POTASSIUM ION, Potassium channel AKT1 | | Authors: | Yang, G.H, Lu, Y.M, Jia, Y.T, Zhang, Y.M, Tang, R.F, Xu, X, Li, X.M, Lei, J.L. | | Deposit date: | 2021-07-15 | | Release date: | 2022-11-09 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis for the activity regulation of a potassium channel AKT1 from Arabidopsis.
Nat Commun, 13, 2022
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8I71
 | | Hepatitis B virus core protein Y132A mutant in complex with Linvencorvir (RG7907), a Hepatitis B Virus (HBV) Core Protein Allosteric Modulator (CpAM) | | Descriptor: | 3-[(8~{a}~{S})-7-[[5-ethoxycarbonyl-4-(3-fluoranyl-2-methyl-phenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxidanylidene-5,6,8,8~{a}-tetrahydro-1~{H}-imidazo[1,5-a]pyrazin-2-yl]-2,2-dimethyl-propanoic acid, CHLORIDE ION, Capsid protein, ... | | Authors: | Zhou, Z, Xu, Z.H. | | Deposit date: | 2023-01-30 | | Release date: | 2023-03-22 | | Last modified: | 2023-04-05 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Linvencorvir (RG7907), a Hepatitis B Virus Core Protein Allosteric Modulator, for the Treatment of Chronic HBV Infection.
J.Med.Chem., 66, 2023
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