4W8G
 
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4W8H
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5HBR
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4XZ3
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4XYM
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4XYL
 | | Ca. Korarchaeum cryptofilum ACD1 in complex with coenzyme A | | Descriptor: | CHLORIDE ION, COENZYME A, alpha subunit of Acyl-CoA synthetase (NDP forming), ... | | Authors: | Weisse, R.H.-J, Scheidig, A.J. | | Deposit date: | 2015-02-02 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
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4YAK
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4YAJ
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4Y8V
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4YBZ
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4YB8
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7Z99
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8B56
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GD-9 | | Descriptor: | (2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5, BROMIDE ION, ... | | Authors: | Straeter, N, Muller, C.E, Claff, T, Sylvester, K, Weisse, R, Gao, S, Song, L, Liu, X, Zhan, P. | | Deposit date: | 2022-09-21 | | Release date: | 2023-08-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.823 Å) | | Cite: | Discovery and Crystallographic Studies of Nonpeptidic Piperazine Derivatives as Covalent SARS-CoV-2 Main Protease Inhibitors.
J.Med.Chem., 65, 2022
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7Z4X
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7Z94
 | | Crystal structure of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with indole | | Descriptor: | DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, INDOLE, ... | | Authors: | Kratky, J, Weisse, R, Strater, N. | | Deposit date: | 2022-03-19 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7Z97
 | | Crystal structure of the F191M variant of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with 6-bromoindole | | Descriptor: | 1,2-ETHANEDIOL, 6-bromo-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Kratky, J, Weisse, R, Strater, N. | | Deposit date: | 2022-03-20 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7Z98
 | | Crystal structure of F191M variant Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with methyl phenyl sulfide | | Descriptor: | (methylsulfanyl)benzene, 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Kratky, J, Weisse, R, Strater, N. | | Deposit date: | 2022-03-20 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7ZCA
 | | Crystal structure of the F191M/F201A variant of Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with benzyl phenyl sulfoxide | | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Putative dehydrogenase/oxygenase subunit (Flavoprotein), ... | | Authors: | Kratky, J, Weisse, R, Strater, N. | | Deposit date: | 2022-03-26 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
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2XRA
 | | crystal structure of the HK20 Fab in complex with a gp41 mimetic 5- Helix | | Descriptor: | HK20, HUMAN MONOCLONAL ANTIBODY HEAVY CHAIN, HUMAN MONOCLONAL ANTIBODY LIGHT CHAIN, ... | | Authors: | Sabin, C, Corti, D, Buzon, V, Seaman, M.S, Lutje Hulsik, D, Hinz, A, Vanzetta, F, Agatic, G, Silacci, C, Langedijk, J.P.M, Mainetti, L, Scarlatti, G, Sallusto, F, Weiss, R, Lanzavecchia, A, Weissenhorn, W. | | Deposit date: | 2010-09-13 | | Release date: | 2010-12-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure and size-dependent neutralization properties of HK20, a human monoclonal antibody binding to the highly conserved heptad repeat 1 of gp41.
PLoS Pathog., 6, 2010
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1L6U
 | | NMR STRUCTURE OF OXIDIZED ADRENODOXIN | | Descriptor: | Adrenodoxin 1, FE2/S2 (INORGANIC) CLUSTER | | Authors: | Beilke, D, Weiss, R, Lohr, F, Pristovsek, P, Hannemann, F, Bernhardt, R, Rueterjans, H. | | Deposit date: | 2002-03-14 | | Release date: | 2002-06-26 | | Last modified: | 2020-02-05 | | Method: | SOLUTION NMR | | Cite: | A new electron transport mechanism in mitochondrial steroid hydroxylase systems based on structural changes upon the reduction of adrenodoxin.
Biochemistry, 41, 2002
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2XA3
 | | crystal structure of the broadly neutralizing llama VHH D7 and its mode of HIV-1 gp120 interaction | | Descriptor: | LLAMA HEAVY CHAIN ANTIBODY D7, SULFATE ION | | Authors: | Hinz, A, Lutje Hulsik, D, Forsman, A, Koh, W, Belrhali, H, Gorlani, A, de Haard, H, Weiss, R.A, Verrips, T, Weissenhorn, W. | | Deposit date: | 2010-03-29 | | Release date: | 2010-05-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of the neutralizing Llama V(HH) D7 and its mode of HIV-1 gp120 interaction.
PLoS ONE, 5, 2010
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1L6V
 | | STRUCTURE OF REDUCED BOVINE ADRENODOXIN | | Descriptor: | Adrenodoxin 1, FE2/S2 (INORGANIC) CLUSTER | | Authors: | Beilke, D, Weiss, R, Lohr, F, Pristovsek, P, Hannemann, F, Bernhardt, R, Rueterjans, H. | | Deposit date: | 2002-03-14 | | Release date: | 2002-06-26 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | A new electron transport mechanism in mitochondrial steroid hydroxylase systems based on structural changes upon the reduction of adrenodoxin.
Biochemistry, 41, 2002
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3R0M
 | | Crystal structure of anti-HIV llama VHH antibody A12 | | Descriptor: | Llama VHH A12, SULFATE ION | | Authors: | Chen, L, McLellan, J.S, Kwon, Y.D, Schmidt, S, Wu, X, Zhou, T, Yang, Y, Zhang, B, Forsman, A, Weiss, R.A, Verrips, T, Mascola, J, Kwong, P.D. | | Deposit date: | 2011-03-08 | | Release date: | 2012-03-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Single-Headed Immunoglobulins Efficiently Penetrate CD4-Binding Site and Effectively Neutralize HIV-1
To be Published
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3RJQ
 | | Crystal structure of anti-HIV llama VHH antibody A12 in complex with C186 gp120 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C186 gp120, Llama VHH A12 | | Authors: | Chen, L, McLellan, J.S, Kwon, Y.D, Schmidt, S, Wu, X, Zhou, T, Yang, Y, Zhang, B, Forsman, A, Weiss, R.A, Verrips, T, Mascola, J, Kwong, P.D. | | Deposit date: | 2011-04-15 | | Release date: | 2012-05-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Crystal structure of anti-HIV A12 VHH of llama antibody in complex with C1086 gp120
To be Published
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8ACD
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GA-17S | | Descriptor: | (2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Strater, N, Muller, C.E, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P. | | Deposit date: | 2022-07-05 | | Release date: | 2022-09-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity.
J.Med.Chem., 65, 2022
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