5QAJ
 
 | | OXA-48 IN COMPLEX WITH COMPOUND 13 | | Descriptor: | 1,2-ETHANEDIOL, 3-(4-aminophenyl)benzoic acid, Beta-lactamase, ... | | Authors: | Lund, B.A, Leiros, H.K.S. | | Deposit date: | 2017-07-11 | | Release date: | 2018-01-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
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1C9O
 | | CRYSTAL STRUCTURE ANALYSIS OF THE BACILLUS CALDOLYTICUS COLD SHOCK PROTEIN BC-CSP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COLD-SHOCK PROTEIN, SODIUM ION | | Authors: | Mueller, U, Perl, D, Schmid, F.X, Heinemann, U. | | Deposit date: | 1999-08-03 | | Release date: | 2000-04-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Thermal stability and atomic-resolution crystal structure of the Bacillus caldolyticus cold shock protein.
J.Mol.Biol., 297, 2000
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4FTL
 | | Crystal Structure of the CHK1 | | Descriptor: | 4'-[7-(hydroxymethyl)-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]biphenyl-4-ol, ISOPROPYL ALCOHOL, SULFATE ION, ... | | Authors: | Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J. | | Deposit date: | 2012-06-27 | | Release date: | 2012-08-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of the CHK1
To be Published
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5EDM
 | | Crystal structure of prothrombin deletion mutant residues 154-167 ( Form I ) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Pozzi, N, Chen, Z, Di Cera, E. | | Deposit date: | 2015-10-21 | | Release date: | 2016-01-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | How the Linker Connecting the Two Kringles Influences Activation and Conformational Plasticity of Prothrombin.
J.Biol.Chem., 291, 2016
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1LKK
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1LL5
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7HF3
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004064 | | Descriptor: | Non-structural protein 3, [(2R,4S)-4-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol, [(2S,4R)-4-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol | | Authors: | Correy, G.J, Fraser, J.S. | | Deposit date: | 2024-08-15 | | Release date: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
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7BEP
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-384 and S309 Fabs | | Descriptor: | CHLORIDE ION, COVOX-384 heavy chain, COVOX-384 light chain, ... | | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2020-12-24 | | Release date: | 2021-03-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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3PG4
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5HQB
 | | A Glycoside Hydrolase Family 97 enzyme (E480Q) in complex with Panose from Pseudoalteromonas sp. strain K8 | | Descriptor: | Alpha-glucosidase, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Li, J, He, C, Xiao, Y. | | Deposit date: | 2016-01-21 | | Release date: | 2017-01-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of PspAG97A alpha-glucoside hydrolase reveal a novel mechanism for chloride induced activation.
J. Struct. Biol., 196, 2016
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4K83
 | | Crystal structure of lv-ranaspumin (Lv-RSN-1) from the foam nest of Leptodactylus vastus, orthorhombic crystal form | | Descriptor: | Lv-ranaspumin (Lv-RSN-1) | | Authors: | Hissa, D.C, Bezerra, G.A, Melo, V.M.M, Gruber, K. | | Deposit date: | 2013-04-17 | | Release date: | 2014-03-05 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Unique Crystal Structure of a Novel Surfactant Protein from the Foam Nest of the Frog Leptodactylus vastus.
Chembiochem, 15, 2014
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4K6X
 | | Crystal structure of disulfide oxidoreductase from Mycobacterium tuberculosis | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Disulfide oxidoreductase | | Authors: | Premkumar, L, Martin, J.L. | | Deposit date: | 2013-04-16 | | Release date: | 2013-10-02 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.972 Å) | | Cite: | Rv2969c, essential for optimal growth in Mycobacterium tuberculosis, is a DsbA-like enzyme that interacts with VKOR-derived peptides and has atypical features of DsbA-like disulfide oxidases.
Acta Crystallogr.,Sect.D, 69, 2013
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7BEK
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-158 Fab (crystal form 2) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2020-12-23 | | Release date: | 2021-03-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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4FWN
 | | Crystal structure of Salmonella typhimurium propionate kinase (TdcD) in complex with Adenosine Tetraphosphate (AP4) | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TETRAPHOSPHATE, Propionate kinase | | Authors: | Chittori, S, Savithri, H.S, Murthy, M.R.N. | | Deposit date: | 2012-07-01 | | Release date: | 2013-06-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Mechanistic features of Salmonella typhimurium propionate kinase (TdcD): insights from kinetic and crystallographic studies.
Biochim.Biophys.Acta, 1834, 2013
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3IK1
 | | Lactobacillus casei Thymidylate Synthase in Ternary Complex with dUMP and the Phtalimidic Derivative 20C | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid, Thymidylate synthase | | Authors: | Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P. | | Deposit date: | 2009-08-05 | | Release date: | 2010-08-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
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7HF8
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004329 | | Descriptor: | (1r,4r)-1-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclohexane-1,4-diol, CHLORIDE ION, Non-structural protein 3 | | Authors: | Correy, G.J, Fraser, J.S. | | Deposit date: | 2024-08-15 | | Release date: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
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5QAF
 | | OXA-48 IN COMPLEX WITH COMPOUND 8c | | Descriptor: | 1,2-ETHANEDIOL, 3-(4-fluorophenyl)benzoic acid, Beta-lactamase, ... | | Authors: | Lund, B.A, Leiros, H.K.S. | | Deposit date: | 2017-07-11 | | Release date: | 2018-01-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
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3IMJ
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2VUV
 | | Crystal structure of Codakine at 1.3A resolution | | Descriptor: | CALCIUM ION, CITRIC ACID, CODAKINE, ... | | Authors: | Gourdine, J.P, Cioci, G.C, Miguet, L, Unverzagt, C, Varrot, A, Gauthier, C, Smith-Ravin, E.J, Imberty, A. | | Deposit date: | 2008-05-30 | | Release date: | 2008-08-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | High Affinity Interaction between a Bivalve C-Type Lectin and a Biantennary Complex-Type N-Glycan Revealed by Crystallography and Microcalorimetry.
J.Biol.Chem., 283, 2008
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7C0F
 | | Crystal structure of a dinucleotide-binding protein of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine (Form I) | | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, CARBON DIOXIDE, ... | | Authors: | Kanaujia, S.P, Chandravanshi, M. | | Deposit date: | 2020-05-01 | | Release date: | 2021-03-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function.
Febs J., 288, 2021
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4NFF
 | | Human kallikrein-related peptidase 2 in complex with PPACK | | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Kallikrein-2 | | Authors: | Skala, W, Brandstetter, H, Magdolen, V, Goettig, P. | | Deposit date: | 2013-10-31 | | Release date: | 2014-10-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-function analyses of human kallikrein-related peptidase 2 establish the 99-loop as master regulator of activity
J.Biol.Chem., 289, 2014
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7HTX
 | | PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z608065044 | | Descriptor: | Oleoyl-acyl carrier protein thioesterase 1, chloroplastic, SULFATE ION, ... | | Authors: | Kot, E, Ni, X, Tomlinson, C.W.E, Fearon, D, Aschenbrenner, J.C, Fairhead, M, Koekemoer, L, Marx, M.L, Wright, N.D, Mulholland, N.P, Montgomery, M.G, von Delft, F. | | Deposit date: | 2024-12-23 | | Release date: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (1.861 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5T62
 | | Nmd3 is a structural mimic of eIF5A, and activates the cpGTPase Lsg1 during 60S ribosome biogenesis: 60S-Nmd3-Tif6-Lsg1 Complex | | Descriptor: | 5.8S Ribosomal RNA, 5S Ribosomal RNA, 60S ribosomal export protein NMD3, ... | | Authors: | Malyutin, A.G, Musalgaonkar, S, Patchett, S, Frank, J, Johnson, A.W. | | Deposit date: | 2016-09-01 | | Release date: | 2017-02-08 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Nmd3 is a structural mimic of eIF5A, and activates the cpGTPase Lsg1 during 60S ribosome biogenesis.
EMBO J., 36, 2017
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4A8E
 | | The structure of a dimeric Xer recombinase from archaea | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PROBABLE TYROSINE RECOMBINASE XERC-LIKE, ... | | Authors: | Brooks, M.A, ElArnaout, T, Duranda, D, Lisboa, J, Lazar, N, Raynal, B, vanTilbeurgh, H, Serre, M, Quevillon-Cheruel, S. | | Deposit date: | 2011-11-21 | | Release date: | 2012-12-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | The Carboxy-Terminal Alpha N Helix of the Archaeal Xera Tyrosine Recombinase is a Molecular Switch to Control Site-Specific Recombination.
Plos One, 8, 2013
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1XXW
 | | Structure of zinc induced heterodimer of two calcium free isoforms of phospholipase A2 from Naja naja sagittifera at 2.7A resolution | | Descriptor: | ACETIC ACID, Phospholipase A2 isoform 1, Phospholipase A2 isoform 2, ... | | Authors: | Jabeen, T, Sharma, S, Singh, N, Singh, R.K, Verma, A.K, Paramasivam, M, Srinivasan, A, Singh, T.P. | | Deposit date: | 2004-11-09 | | Release date: | 2005-03-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the zinc-induced heterodimer of two calcium-free isoforms of phospholipase A2 from Naja naja sagittifera at 2.7 angstroms resolution.
Acta Crystallogr.,Sect.D, 61, 2005
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