7QCJ
 
 | | Structure of SARS-CoV-2 Papain-like Protease bound to N-(2,4-dihydroxybenzylidene)-thiosemicarbazone | | Descriptor: | CHLORIDE ION, GLYCEROL, N-(2,4-dihydroxybenzylidene)-thiosemicarbazone, ... | | Authors: | Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A. | | Deposit date: | 2021-11-24 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease.
Front Chem, 10, 2022
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7QCH
 | | Structure of SARS-CoV-2 Papain-like Protease bound to N-(3,5-dimethoxy-4-hydroxybenzyliden)thiosemicarbazone | | Descriptor: | CHLORIDE ION, GLYCEROL, N-(3,5-dimetoxy-4-hydroxybenzyliden)thiosemicarbazone, ... | | Authors: | Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A. | | Deposit date: | 2021-11-24 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease.
Front Chem, 10, 2022
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1B1A
 | | GLUTAMATE MUTASE (B12-BINDING SUBUNIT), NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | GLUTAMATE MUTASE | | Authors: | Hoffmann, B, Konrat, R, Bothe, H, Buckel, W, Kraeutler, B. | | Deposit date: | 1998-11-19 | | Release date: | 1999-07-13 | | Last modified: | 2024-04-10 | | Method: | SOLUTION NMR | | Cite: | Structure and dynamics of the B12-binding subunit of glutamate mutase from Clostridium cochlearium.
Eur.J.Biochem., 263, 1999
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7QCG
 | | Structure of SARS-CoV-2 Papain-like Protease bound to N-(2-pyrrolidyl)-3,4,5-trihydroxybenzoylhydrazone | | Descriptor: | 3,4,5-tris(oxidanyl)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A. | | Deposit date: | 2021-11-23 | | Release date: | 2022-03-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease.
Front Chem, 10, 2022
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7QCM
 | | Structure of SARS-CoV-2 Papain-like Protease bound to N-(3-methoxy-4-hydroxy-acetophenone)thiosemicarbazone | | Descriptor: | CHLORIDE ION, GLYCEROL, N-(3-metoxy-4-hydroxy-acetophenone)thiosemicarbazone, ... | | Authors: | Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A. | | Deposit date: | 2021-11-24 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease.
Front Chem, 10, 2022
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7QKD
 | | Crystal structure of human Cathepsin L in complex with covalently bound MG132 | | Descriptor: | ACETATE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | | Deposit date: | 2021-12-17 | | Release date: | 2022-12-28 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 2024
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5M4Z
 | | Crystal structure of the complex of T.spiralis thymidylate synthase with N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate, crystallized in the presence of N(5,10)-methylenetetrahydrofolate | | Descriptor: | GLYCEROL, Thymidylate synthase, [(2~{R},3~{S},5~{R})-5-[(4~{E})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | | Authors: | Wilk, P, Maj, P, Jarmula, A, Dowiercial, A, Rode, W. | | Deposit date: | 2016-10-19 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.179 Å) | | Cite: | Molecular Mechanism of Thymidylate Synthase Inhibition by N 4 -Hydroxy-dCMP in View of Spectrophotometric and Crystallographic Studies.
Int J Mol Sci, 22, 2021
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7LVY
 | | Crystal Structure of Tetur04g02350 | | Descriptor: | UDP-glycosyltransferase 203A2, URIDINE-5'-DIPHOSPHATE, beta-D-glucopyranose | | Authors: | Danehsian, L, Kluza, A, Dermauw, W, Wybouw, N, Van Leeuwen, T, Chruszcz, M. | | Deposit date: | 2021-02-26 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of Tetur04g02350
To Be Published
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7LW2
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7LU8
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7LHQ
 | | Solution structure of SARS-CoV-2 nonstructural protein 7 at pH 7.0 | | Descriptor: | Non-structural protein 7 | | Authors: | Lee, Y, Tonelli, M, Anderson, T.K, Kirchdoerfer, R.N, Henzler-Wildman, K, Lee, W. | | Deposit date: | 2021-01-26 | | Release date: | 2022-02-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | pH-dependent polymorphism of the structure of SARS-CoV-2 nsp7
Biorxiv, 2021
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7MBL
 | | Crystal structure of Equine Serum Albumin in complex with Cobalt (II) | | Descriptor: | COBALT (II) ION, SULFATE ION, Serum albumin | | Authors: | Shabalin, I.G, Czub, M.P, Handing, K.B, Cymborowski, M.T, Grabowski, M, Cooper, D.R, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-03-31 | | Release date: | 2021-04-14 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and biochemical characterisation of Co 2+ -binding sites on serum albumins and their interplay with fatty acids.
Chem Sci, 14, 2023
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7MJB
 | | Crystal Structure of Nanoluc Luciferase Mutant R164Q | | Descriptor: | CHLORIDE ION, DECANOIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Shabalin, I.G, Reza, M.S, Ai, H, Minor, W. | | Deposit date: | 2021-04-19 | | Release date: | 2021-05-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of Nanoluc Luciferase Mutant R164Q
To Be Published
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7M3Q
 | | Structure of the Smurf2 HECT Domain with a High Affinity Ubiquitin Variant (UbV) | | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, ... | | Authors: | Chowdhury, A, Singer, A.U, Ogunjimi, A.A, Teyra, J, Zhang, W, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2021-03-18 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the Smurf2 HECT Domain with a High Affinity Ubiquitin Variant (UbV)
To be published
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7MJI
 | | Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to VH ab8 (focused refinement of RBD and VH ab8) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VH ab8 | | Authors: | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | | Deposit date: | 2021-04-20 | | Release date: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
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7MJH
 | | Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to VH ab8 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | | Deposit date: | 2021-04-20 | | Release date: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
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7MNG
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor VBY-825 (Partial Occupancy) | | Descriptor: | (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name), 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2021-04-30 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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7M5F
 | | Contact-dependent inhibition system from Serratia marcescens BWH57 | | Descriptor: | CdiI, MALONATE ION, Toxin CdiA | | Authors: | Michalska, K, Nutt, W, Stols, L, Jedrzejczak, R, Hayes, C.S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-03-23 | | Release date: | 2021-05-12 | | Last modified: | 2021-08-18 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Contact-dependent inhibition system from Serratia marcescens
To Be Published
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7MJN
 | | Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to human ACE2 ectodomain (focused refinement of RBD and ACE2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | | Authors: | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | | Deposit date: | 2021-04-20 | | Release date: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
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7MJJ
 | | Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to Fab ab1 (class 1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab ab1 Heavy Chain, ... | | Authors: | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | | Deposit date: | 2021-04-20 | | Release date: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
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7M40
 | | Discovery of small molecule antagonists of human Retinoblastoma Binding Protein 4 (RBBP4) | | Descriptor: | Histone-binding protein RBBP4, N~3~-{4-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dimethoxyquinazolin-2-yl}-N~1~,N~1~-dimethylpropane-1,3-diamine | | Authors: | Perveen, S, Dong, A, Tempel, W, Zepeda-Velazquez, C, Abbey, M, McLeod, D, Marcellus, R, Mohammed, M, Ensan, D, Panagopoulos, D, Trush, V, Gibson, E, Brown, P.J, Arrowsmith, C.H, Schapira, M, Al-awar, R, Vedadi, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-03-19 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Discovery of small molecule antagonists of human Retinoblastoma Binding Protein 4 (RBBP4)
To Be Published
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7MJL
 | | Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to Fab ab1 (focused refinement of RBD and Fab ab1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab ab1 Heavy Chain, Fab ab1 Light Chain, ... | | Authors: | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | | Deposit date: | 2021-04-20 | | Release date: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
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7MJK
 | | Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to Fab ab1 (class 2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab ab1 Heavy Chain, ... | | Authors: | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | | Deposit date: | 2021-04-20 | | Release date: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (2.73 Å) | | Cite: | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
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7MJG
 | | Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | | Deposit date: | 2021-04-20 | | Release date: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
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7MJM
 | | Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to human ACE2 ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | | Authors: | Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S. | | Deposit date: | 2021-04-20 | | Release date: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
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