3K2P
 
 | | HIV-1 Reverse Transcriptase Isolated RnaseH Domain with the Inhibitor beta-thujaplicinol Bound at the Active Site | | Descriptor: | 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one, MANGANESE (II) ION, Reverse Transcriptase | | Authors: | Pauly, T.A, Himmel, D.M, Maegley, K, Arnold, E. | | Deposit date: | 2009-09-30 | | Release date: | 2010-02-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structure of HIV-1 reverse transcriptase with the inhibitor beta-Thujaplicinol bound at the RNase H active site.
Structure, 17, 2009
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1XHC
 | | NADH oxidase /nitrite reductase from Pyrococcus furiosus Pfu-1140779-001 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADH oxidase /nitrite reductase | | Authors: | Horanyi, P, Tempel, W, Weinberg, M.V, Liu, Z.-J, Shah, A, Chen, L, Lee, D, Sugar, F.J, Brereton, P.S, Izumi, M, Poole II, F.L, Shah, C, Jenney Jr, F.E, Arendall III, W.B, Rose, J.P, Adams, M.W.W, Richardson, J.S, Richardson, D.C, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-09-17 | | Release date: | 2004-11-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | NADH oxidase /nitrite reductase from Pyrococcus furiosus Pfu-1140779-001
To be published
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8BPN
 | | The structure of thiocyanate dehydrogenase mutant form with Phe 436 replaced by Gln from Thioalkalivibrio paradoxus | | Descriptor: | COPPER (II) ION, DI(HYDROXYETHYL)ETHER, Twin-arginine translocation signal domain-containing protein | | Authors: | Varfolomeeva, L.A, Solovieva, A.Y, Shipkov, N.S, Kulikova, O.G, Dergousova, N.I, Rakitina, T.V, Boyko, K.M, Tikhonova, T.V, Popov, V.O. | | Deposit date: | 2023-01-09 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Probing the Role of a Conserved Phenylalanine in the Active Site of Thiocyanate Dehydrogenase
Crystals, 12, 2022
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2W9L
 | | CANINE ADENOVIRUS TYPE 2 FIBRE HEAD IN COMPLEX WITH CAR DOMAIN D1 AND SIALIC ACID | | Descriptor: | COXSACKIEVIRUS AND ADENOVIRUS RECEPTOR, FIBRE PROTEIN, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ... | | Authors: | Seiradake, E, Henaff, D, Wodrich, H, Billet, O, Perreau, M, Hippert, C, Mennechet, F, Schoehn, G, Lortat-Jacob, H, Dreja, H, Ibanes, S, Kalatzis, V, Wang, J.P, Finberg, R.W, Cusack, S, Kremer, E.J. | | Deposit date: | 2009-01-26 | | Release date: | 2009-03-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | The cell adhesion molecule "CAR" and sialic acid on human erythrocytes influence adenovirus in vivo biodistribution.
PLoS Pathog., 5, 2009
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6YYN
 | | Structure of Cathepsin S in complex with Compound 14 | | Descriptor: | CITRATE ANION, Cathepsin S, SULFATE ION, ... | | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | | Deposit date: | 2020-05-05 | | Release date: | 2021-05-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
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5UKR
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1X8R
 | | EPSPS liganded with the (S)-phosphonate analog of the tetrahedral reaction intermediate | | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, [3R-[3A,4A,5B(S*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID | | Authors: | Priestman, M.A, Healy, M.L, Becker, A, Alberg, D.G, Bartlett, P.A, Schonbrunn, E. | | Deposit date: | 2004-08-18 | | Release date: | 2005-04-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Interaction of phosphonate analogues of the tetrahedral reaction intermediate with 5-enolpyruvylshikimate-3-phosphate synthase in atomic detail.
Biochemistry, 44, 2005
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1XRP
 | | Crystal structure of active site F1-mutant E213Q soaked with peptide Pro-Leu-Gly-Gly | | Descriptor: | PLGG, PROLINE, Proline iminopeptidase | | Authors: | Goettig, P, Brandstetter, H, Groll, M, Goehring, W, Konarev, P.V, Svergun, D.I, Huber, R, Kim, J.-S. | | Deposit date: | 2004-10-15 | | Release date: | 2005-07-12 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | X-ray snapshots of peptide processing in mutants of tricorn-interacting factor F1 from Thermoplasma acidophilum
J.Biol.Chem., 280, 2005
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1N8V
 | | Chemosensory Protein in complex with bromo-dodecanol | | Descriptor: | BROMO-DODECANOL, chemosensory protein | | Authors: | Campanacci, V, Lartigue, A, Hallberg, B.M, Jones, T.A, Giudici-Orticoni, M.T, Tegoni, M, Cambillau, C. | | Deposit date: | 2002-11-21 | | Release date: | 2003-04-01 | | Last modified: | 2017-02-01 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Moth chemosensory protein exhibits drastic conformational changes and cooperativity on ligand binding.
Proc.Natl.Acad.Sci.USA, 100, 2003
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6YYP
 | | Structure of Cathepsin S in complex with Compound 2 | | Descriptor: | 1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-amine, ACETATE ION, Cathepsin S, ... | | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | | Deposit date: | 2020-05-05 | | Release date: | 2021-05-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
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1NEZ
 | | The Crystal Structure of a TL/CD8aa Complex at 2.1A resolution:Implications for Memory T cell Generation, Co-receptor Preference and Affinity | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | | Authors: | Liu, Y, Xiong, Y, Naidenko, O.V, Liu, J.H, Zhang, R, Joachimiak, A, Kronenberg, M, Cheroutre, H, Reinherz, E.L, Wang, J.H. | | Deposit date: | 2002-12-12 | | Release date: | 2003-04-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Crystal Structure of a TL/CD8alphaalpha Complex at 2.1 A resolution: Implications for modulation of T cell activation and memory
Immunity, 18, 2003
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6YYO
 | | Structure of Cathepsin S in complex with Compound 1 | | Descriptor: | 1,2-ETHANEDIOL, 6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine, CITRATE ANION, ... | | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | | Deposit date: | 2020-05-05 | | Release date: | 2021-05-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
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6YYQ
 | | Structure of Cathepsin S in complex with Compound 3 | | Descriptor: | (6~{R})-2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine, Cathepsin S | | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | | Deposit date: | 2020-05-05 | | Release date: | 2021-05-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
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2W80
 | | Structure of a complex between Neisseria meningitidis factor H binding protein and CCPs 6-7 of human complement factor H | | Descriptor: | COMPLEMENT FACTOR H, FACTOR H BINDING PROTEIN | | Authors: | Schneider, M.C, Prosser, B.E, Caesar, J.J.E, Kugelberg, E, Li, S, Zhang, Q, Quoraishi, S, Lovett, J.E, Deane, J.E, Sim, R.B, Roversi, P, Johnson, S, Tang, C.M, Lea, S.M. | | Deposit date: | 2009-01-08 | | Release date: | 2009-03-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Neisseria Meningitidis Recruits Factor H Using Protein Mimicry of Host Carbohydrates.
Nature, 458, 2009
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3K92
 | | Crystal structure of a E93K mutant of the majour Bacillus subtilis glutamate dehydrogenase RocG | | Descriptor: | DI(HYDROXYETHYL)ETHER, NAD-specific glutamate dehydrogenase | | Authors: | Gunka, K, Newman, J.A, Commichau, F.M, Herzberg, C, Rodrigues, C, Hewitt, L, Lewis, R.J, Stulke, J. | | Deposit date: | 2009-10-15 | | Release date: | 2010-06-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Functional dissection of a trigger enzyme: mutations of the bacillus subtilis glutamate dehydrogenase RocG that affect differentially its catalytic activity and regulatory properties
J.Mol.Biol., 400, 2010
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6YYR
 | | Structure of Cathepsin S in complex with Compound 20b | | Descriptor: | (2~{R})-~{N}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide, 1,2-ETHANEDIOL, CITRATE ANION, ... | | Authors: | Wagener, M, Schade, M, Merla, B, Hars, U, Kueckelhaus, S.Q. | | Deposit date: | 2020-05-05 | | Release date: | 2021-05-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.
J.Med.Chem., 63, 2020
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5UKO
 | | Structure of unliganded anti-gp120 CD4bs antibody DH522IA Fab | | Descriptor: | DH522IA Fab fragment heavy chain, DH522IA Fab fragment light chain | | Authors: | Nicely, N.I. | | Deposit date: | 2017-01-23 | | Release date: | 2017-12-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Initiation of HIV neutralizing B cell lineages with sequential envelope immunizations.
Nat Commun, 8, 2017
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1YC2
 | | Sir2Af2-NAD-ADPribose-nicotinamide | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, NAD-dependent deacetylase 2, ... | | Authors: | Avalos, J.L, Bever, M.K, Wolberger, C. | | Deposit date: | 2004-12-21 | | Release date: | 2005-03-29 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mechanism of Sirtuin Inhibition by Nicotinamide: Altering the NAD(+) Cosubstrate Specificity of a Sir2 Enzyme.
Mol.Cell, 17, 2005
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8BI2
 | | Syk kinase domain in complex with macrocyclic inhibitor 20a | | Descriptor: | 10,13,23-trimethyl-16-oxa-2,4,8,9,13,19,23,30-octazapentacyclo[19.5.2.1^{3,7}.1^{8,11}.0^{24,28}]triaconta-1(27),3,5,7(30),9,11(29),21,24(28),25-nonaen-20-one, Tyrosine-protein kinase SYK | | Authors: | Read, J.A, Patel, J. | | Deposit date: | 2022-11-01 | | Release date: | 2023-06-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.508 Å) | | Cite: | Optimization of a series of novel, potent and selective Macrocyclic SYK inhibitors.
Bioorg.Med.Chem.Lett., 91, 2023
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1O8V
 | | The crystal structure of Echinococcus granulosus fatty-acid-binding protein 1 | | Descriptor: | FATTY ACID BINDING PROTEIN HOMOLOG, PALMITIC ACID | | Authors: | Jakobsson, E, Alvite, G, Bergfors, T, Esteves, A, Kleywegt, G.J. | | Deposit date: | 2002-12-04 | | Release date: | 2003-06-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Crystal Structure of Echinococcus Granulosus Fatty-Acid-Binding Protein 1
Biochim.Biophys.Acta, 1649, 2003
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1YGH
 | | HAT DOMAIN OF GCN5 FROM SACCHAROMYCES CEREVISIAE | | Descriptor: | GLYCEROL, PROTEIN (TRANSCRIPTIONAL ACTIVATOR GCN5) | | Authors: | Trievel, R.C, Rojas, J.R, Sterner, D.E, Venkataramani, R, Wang, L, Zhou, J, Allis, C.D, Berger, S.L, Marmorstein, R. | | Deposit date: | 1999-05-27 | | Release date: | 1999-08-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure and mechanism of histone acetylation of the yeast GCN5 transcriptional coactivator.
Proc.Natl.Acad.Sci.USA, 96, 1999
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2WBW
 | | Ad37 fibre head in complex with CAR D1 and sialic acid | | Descriptor: | CALCIUM ION, COXSACKIEVIRUS AND ADENOVIRUS RECEPTOR, FIBER PROTEIN, ... | | Authors: | Seiradake, E, Henaff, D, Wodrich, H, Billet, O, Perreau, M, Hippert, C, Mennechet, F, Schoehn, G, Lortat-Jacob, H, Dreja, H, Ibanes, S, Kalatzis, V, Wang, J.P, Finberg, R.W, Cusack, S, Kremer, E.J. | | Deposit date: | 2009-03-05 | | Release date: | 2009-03-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The Cell Adhesion Molecule "Car" and Sialic Acid on Human Erythrocytes Influence Adenovirus in Vivo Biodistribution.
Plos Pathog., 5, 2009
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8B78
 | | KRasG12C ligand complex | | Descriptor: | 1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Phillips, C, Breed, J. | | Deposit date: | 2022-09-29 | | Release date: | 2023-07-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Discovery of AZD4747, a Potent and Selective Inhibitor of Mutant GTPase KRAS G12C with Demonstrable CNS Penetration.
J.Med.Chem., 66, 2023
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5UKE
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6Z8R
 | | Copper transporter OprC | | Descriptor: | COPPER (II) ION, Putative copper transport outer membrane porin OprC | | Authors: | Bhamidimarri, S.P, van den Berg, B. | | Deposit date: | 2020-06-02 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site.
Plos Biol., 19, 2021
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