8BS0
 
 | | Room-temperature structure of Pedobacter heparinus N-acetylglucosamine 2-epimerase at 80 MPa helium gas pressure in a sapphire capillary | | Descriptor: | CHLORIDE ION, N-acylglucosamine 2-epimerase, PHOSPHATE ION | | Authors: | Lieske, J, Saouane, S, Assmann, M, Zaun, H, Kuballa, J, Meents, A. | | Deposit date: | 2022-11-24 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | High-pressure macromolecular crystallography to explore the conformational space of proteins
To Be Published
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8BRY
 | | Room-temperature structure of Pedobacter heparinus N-acetylglucosamine 2-epimerase at atmospheric pressure | | Descriptor: | CHLORIDE ION, N-acylglucosamine 2-epimerase, PHOSPHATE ION | | Authors: | Lieske, J, Saouane, S, Assmann, M, Zaun, H, Kuballa, J, Meents, A. | | Deposit date: | 2022-11-24 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | High-pressure macromolecular crystallography to explore the conformational space of proteins
To Be Published
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1E64
 | | FERREDOXIN:NADP+ REDUCTASE MUTANT WITH LYS 75 REPLACED BY GLN (K75Q) | | Descriptor: | FERREDOXIN-NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | | Authors: | Hermoso, J.A, Mayoral, T, Medina, M, Sanz-Aparicio, J, Gomez-Moreno, C. | | Deposit date: | 2000-08-07 | | Release date: | 2001-05-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Analysis of Interactions for Complex Formation between Ferredoxin-Nadp+ Reductase and its Protein Partners.
Proteins, 59, 2005
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6NV1
 | | Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor | | Descriptor: | (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, ... | | Authors: | Thomaston, J.L, Liu, L, DeGrado, W.F. | | Deposit date: | 2019-02-04 | | Release date: | 2020-01-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | X-ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to a Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance.
Biochemistry, 59, 2020
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1E62
 | | Ferredoxin:NADP+ reductase mutant with Lys 75 replaced by Arg (K75R) | | Descriptor: | FERREDOXIN-NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | | Authors: | Hermoso, J.A, Mayoral, T, Medina, M, Sanz-Aparicio, J, Gomez-Moreno, C. | | Deposit date: | 2000-08-07 | | Release date: | 2001-05-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Analysis of Interactions for Complex Formation between Ferredoxin-Nadp+ Reductase and its Protein Partners.
Proteins, 59, 2005
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1E63
 | | Ferredoxin:NADP+ Reductase Mutant with LYS 75 Replaced by SER (K75S) | | Descriptor: | FERREDOXIN-NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | | Authors: | Hermoso, J.A, Mayoral, T, Medina, M, Gomez-Moreno, C. | | Deposit date: | 2000-08-07 | | Release date: | 2001-05-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Analysis of Interactions for Complex Formation between Ferredoxin-Nadp+ Reductase and its Protein Partners.
Proteins, 59, 2005
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4R8T
 | | Structure of JEV protease | | Descriptor: | CHLORIDE ION, NS3, Serine protease subunit NS2B | | Authors: | Nair, D.T, Weinert, T, Wang, M, Olieric, V. | | Deposit date: | 2014-09-03 | | Release date: | 2014-12-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.133 Å) | | Cite: | Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
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4R8U
 | | S-SAD structure of DINB-DNA Complex | | Descriptor: | 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA, DNA polymerase IV, ... | | Authors: | Kottur, J, Nair, D.T, Weinert, T, Oligeric, V, Wang, M. | | Deposit date: | 2014-09-03 | | Release date: | 2015-01-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Fast native-SAD phasing for routine macromolecular structure determination
Nat.Methods, 12, 2015
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6CR1
 | | adalimumab EFab | | Descriptor: | DI(HYDROXYETHYL)ETHER, Heavy chain of adalimumab EFab (VH-IgE CH2), Light chain of adalimumab EFab (VL-IgE CH2), ... | | Authors: | Arndt, J.W. | | Deposit date: | 2018-03-16 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.521 Å) | | Cite: | EFab domain substitution as a solution to the light-chain pairing problem of bispecific antibodies.
MAbs, 10, 2018
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8BS1
 | | Room-temperature structure of SARS-CoV-2 Main protease at atmospheric pressure | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Lieske, J, Saouane, S, Guenther, S, Reinke, P.Y.A, Rahmani Mashhour, A, Meents, A. | | Deposit date: | 2022-11-24 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | High-pressure macromolecular crystallography to explore the conformational space of proteins
To Be Published
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8BS2
 | | Room-temperature structure of SARS-CoV-2 Main protease at 104 MPa helium gas pressure in a sapphire capillary | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Lieske, J, Saouane, S, Guenther, S, Reinke, P.Y.A, Rahmani Mashhour, A, Meents, A. | | Deposit date: | 2022-11-24 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | High-pressure macromolecular crystallography to explore the conformational space of proteins
To Be Published
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4ZTJ
 | | Crystal Structure of the Prototype Foamy Virus Intasome with a 2-Pyridinone Aminal Inhibitor | | Descriptor: | (1R,2S,5R)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-1-(hydroxymethyl)-2'-methyl-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... | | Authors: | Klein, D.J, Patel, S. | | Deposit date: | 2015-05-14 | | Release date: | 2015-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Discovery of 2-Pyridinone Aminals: A Prodrug Strategy to Advance a Second Generation of HIV-1 Integrase Strand Transfer Inhibitors.
J.Med.Chem., 58, 2015
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4ZTF
 | | Crystal Structure of the Prototype Foamy Virus Intasome with a 2-Pyridinone Aminal Inhibitor | | Descriptor: | (1R,2R,5S)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-2'-[(2S)-2-hydroxypropyl]-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione, 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), ... | | Authors: | Klein, D.J, Patel, S. | | Deposit date: | 2015-05-14 | | Release date: | 2015-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of 2-Pyridinone Aminals: A Prodrug Strategy to Advance a Second Generation of HIV-1 Integrase Strand Transfer Inhibitors.
J.Med.Chem., 58, 2015
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4TNO
 | | Hypothetical protein PF1117 from Pyrococcus Furiosus: Structure solved by sulfur-SAD using Swiss Light Source Data | | Descriptor: | CHLORIDE ION, CRISPR-associated endoribonuclease Cas2 | | Authors: | Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2014-06-04 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
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4PGO
 | | Crystal structure of hypothetical protein PF0907 from Pyrococcus furiosus solved by sulfur SAD using Swiss Light Source data | | Descriptor: | CHLORIDE ION, Uncharacterized protein | | Authors: | Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2014-05-02 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
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4PII
 | | Crystal structure of hypothetical protein PF0907 from pyrococcus furiosus solved by sulfur SAD using Swiss light source data | | Descriptor: | CHLORIDE ION, IMIDAZOLE, N-glycosylase/DNA lyase | | Authors: | Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2014-05-08 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
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4TN8
 | | Crystal structure of Thermus Thermophilus thioredoxin solved by sulfur SAD using Swiss Light Source data | | Descriptor: | CHLORIDE ION, Thioredoxin | | Authors: | Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2014-06-03 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
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3CUR
 | | Structure of a double methionine mutant of NI-FE hydrogenase | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ... | | Authors: | Volbeda, A. | | Deposit date: | 2008-04-17 | | Release date: | 2008-08-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Experimental approaches to kinetics of gas diffusion in hydrogenase
Proc.Natl.Acad.Sci.Usa, 105, 2008
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5IYU
 | | AlgE_CIM | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Alginate production protein AlgE, ... | | Authors: | Ma, P, Weichert, D. | | Deposit date: | 2016-03-24 | | Release date: | 2017-04-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The cubicon method for concentrating membrane proteins in the cubic mesophase.
Nat Protoc, 12, 2017
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9EML
 | | SARS-CoV-2 methyltransferase nsp10-16 in complex with SAM and m7GpppA (Cap0-analog)/m7GpppAm (Cap1-analog) | | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Kremling, V, Sprenger, J, Oberthuer, D, Kiene, A. | | Deposit date: | 2024-03-08 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
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9EUN
 | | SARS-CoV-2 nsp10-16 methyltransferase in complex with SAM and m7GTP | | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S. | | Deposit date: | 2024-03-27 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
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9EMV
 | | SARS-CoV-2 nsp10-16 methyltransferase in complex with Sangivamycin and m7GpppA (Cap0-analog)/m7GpppAm (Cap1-analog) | | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S. | | Deposit date: | 2024-03-11 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
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9EMJ
 | | SARS-CoV-2 methyltransferase nsp10-16 in complex with Toyocamycin and m7GpppA (Cap0-analog) | | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ... | | Authors: | Kremling, V, Sprenger, J, Oberthuer, D, Kiene, A. | | Deposit date: | 2024-03-08 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
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3NNT
 | | Crystal Structure of K170M Mutant of Type I 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium LT2 in Non-Covalent Complex with Dehydroquinate. | | Descriptor: | 1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACID, 3-dehydroquinate dehydratase | | Authors: | Minasov, G, Light, S.H, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-06-24 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Insights into the mechanism of type I dehydroquinate dehydratases from structures of reaction intermediates.
J.Biol.Chem., 286, 2011
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1AGY
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