6NTZ
 
 | | Crystal structure of E. coli PBP5-meropenem | | Descriptor: | (2S,3R,4S)-4-{[(3S,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, D-alanyl-D-alanine carboxypeptidase | | Authors: | Caveney, N.A, Strynadka, N.C.J, Caballero, G, Worrall, L.J. | | Deposit date: | 2019-01-30 | | Release date: | 2019-03-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insight into YcbB-mediated beta-lactam resistance in Escherichia coli.
Nat Commun, 10, 2019
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5CCO
 | | Staphylococcus bacteriophage 80alpha dUTPase with dUMP. | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DUTPase, MAGNESIUM ION | | Authors: | Maiques, E, Quiles-Puchalt, N, Donderis, J, Ciges, J.R, Alite, C, Bowring, J, Penades, J.R, Marina, A. | | Deposit date: | 2015-07-02 | | Release date: | 2016-05-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Another look at the mechanism involving trimeric dUTPases in Staphylococcus aureus pathogenicity island induction involves novel players in the party.
Nucleic Acids Res., 44, 2016
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2V5N
 | | STRUCTURE OF HUMAN IGF2R DOMAINS 11-12 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CATION-INDEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR | | Authors: | Brown, J, Delaine, C, Zaccheo, O.J, Siebold, C, Gilbert, R.J, van Boxel, G, Denley, A, Wallace, J.C, Hassan, A.B, Forbes, B.E, Jones, E.Y. | | Deposit date: | 2007-07-06 | | Release date: | 2007-12-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure and Functional Analysis of the Igf-II/Igf2R Interaction
Embo J., 27, 2008
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1KIL
 | | Three-dimensional structure of the complexin/SNARE complex | | Descriptor: | Complexin I SNARE-complex binding region, MAGNESIUM ION, SNAP-25 C-terminal SNARE motif, ... | | Authors: | Chen, X, Tomchick, D, Kovrigin, E, Arac, D, Machius, M, Sudhof, T.C, Rizo, J. | | Deposit date: | 2001-12-03 | | Release date: | 2002-03-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Three-dimensional structure of the complexin/SNARE complex.
Neuron, 33, 2002
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6GBI
 | | Wnt signalling | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ly6/PLAUR domain-containing protein 6, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2018-04-14 | | Release date: | 2018-08-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structure of the Wnt signaling enhancer LYPD6 and its interactions with the Wnt coreceptor LRP6.
FEBS Lett., 592, 2018
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2P5W
 | | Crystal structures of high affinity human T-cell receptors bound to pMHC reveal native diagonal binding geometry | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, CALCIUM ION, ... | | Authors: | Sami, M, Rizkallah, P.J, Dunn, S, Li, Y, Moysey, R, Vuidepot, A, Baston, E, Todorov, P, Molloy, P, Gao, F, Boulter, J.M, Jakobsen, B.K. | | Deposit date: | 2007-03-16 | | Release date: | 2007-09-25 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of high affinity human T-cell receptors bound to peptide major
histocompatibility complex reveal native diagonal binding geometry
Protein Eng.Des.Sel., 20, 2007
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2V9U
 | | Rim domain of main porin from Mycobacteria smegmatis | | Descriptor: | MSPA | | Authors: | Grueninger, D, Ziegler, M.O.P, Koetter, J.W.A, Treiber, N, Schulze, M.-S, Schulz, G.E. | | Deposit date: | 2007-08-27 | | Release date: | 2008-01-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Designed Protein-Protein Association.
Science, 319, 2008
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6G4N
 | | Torpedo californica acetylcholinesterase bound to uncharged hybrid reactivator 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol, Acetylcholinesterase, ... | | Authors: | Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F. | | Deposit date: | 2018-03-28 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61, 2018
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2P7K
 | | Crystal structure of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes (hexagonal form) | | Descriptor: | CITRIC ACID, Glyoxalase family protein | | Authors: | Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N. | | Deposit date: | 2007-03-20 | | Release date: | 2007-07-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure and Mechanism of the Genomically Encoded Fosfomycin Resistance Protein, FosX, from Listeria monocytogenes.
Biochemistry, 46, 2007
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6G5F
 | | Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 1 | | Descriptor: | Botulinum neurotoxin type B, GLYCEROL, MALONATE ION, ... | | Authors: | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | | Deposit date: | 2018-03-29 | | Release date: | 2019-01-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
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6GCX
 | | Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor | | Descriptor: | 2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide, Focal adhesion kinase 1, SULFATE ION | | Authors: | Yen-Pon, E, Li, B, Acebron-Garcia de Eulate, M, Tomkiewicz-Raulet, C, Dawson, J, Lietha, D, Frame, M.C, Coumoul, X, Garbay, C, Etheve-Quelquejeu, M, Chen, H. | | Deposit date: | 2018-04-19 | | Release date: | 2019-05-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.553 Å) | | Cite: | Structure-Based Design, Synthesis, and Characterization of the First Irreversible Inhibitor of Focal Adhesion Kinase.
Acs Chem.Biol., 13, 2018
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3MYM
 | | Mutation of Methionine-86 in Dehaloperoxidase-hemoglobin: Effects of the Asp-His-Fe Triad in a 3/3 Globin | | Descriptor: | CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | de Serrano, V.S, D'Antonio, E.L, Franzen, S, Bowden, E.F. | | Deposit date: | 2010-05-10 | | Release date: | 2011-04-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Functional consequences of the creation of an Asp-His-Fe triad in a 3/3 globin.
Biochemistry, 50, 2011
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2P8B
 | | Crystal structure of N-succinyl Arg/Lys racemase from Bacillus cereus ATCC 14579 complexed with N-succinyl Lys. | | Descriptor: | MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family protein, N-SUCCINYL LYSINE | | Authors: | Fedorov, A.A, Song, L, Fedorov, E.V, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2007-03-22 | | Release date: | 2007-07-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Prediction and assignment of function for a divergent N-succinyl amino acid racemase.
Nat.Chem.Biol., 3, 2007
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1FMF
 | | REFINED SOLUTION STRUCTURE OF THE (13C,15N-LABELED) B12-BINDING SUBUNIT OF GLUTAMATE MUTASE FROM CLOSTRIDIUM TETANOMORPHUM | | Descriptor: | METHYLASPARTATE MUTASE S CHAIN | | Authors: | Hoffmann, B, Konrat, R, Tollinger, M, Huhta, M, Marsh, E.N.G, Kraeutler, B. | | Deposit date: | 2000-08-17 | | Release date: | 2002-02-15 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | A protein pre-organized to trap the nucleotide moiety of coenzyme B(12): refined solution structure of the B(12)-binding subunit of glutamate mutase from Clostridium tetanomorphum.
Chembiochem, 2, 2001
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3HXV
 | | Crystal Structure of catalytic fragment of E. coli AlaRS in complex with GlySA | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-(glycylsulfamoyl)adenosine, ... | | Authors: | Guo, M, Yang, X.-L, Schimmel, P. | | Deposit date: | 2009-06-22 | | Release date: | 2009-12-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma.
Nature, 462, 2009
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5QFN
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000324a | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | Deposit date: | 2018-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2019-02-06 | | Method: | X-RAY DIFFRACTION (1.675 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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6FSP
 | | Crystal structure of APRT from Thermus thermophilus | | Descriptor: | PRPP-binding protein, adenine/guanine phosphoribosyltransferase | | Authors: | Timofeev, V.I, Sinitsyna, E.V, Kostromina, M.A, Muravieva, T.I, Makarov, D.A, Mikheeva, O.O, Kuranova, I.P, Esipov, R.S. | | Deposit date: | 2018-02-20 | | Release date: | 2019-03-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of APRT from Thermus thermophilus
To Be Published
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1FQ1
 | | CRYSTAL STRUCTURE OF KINASE ASSOCIATED PHOSPHATASE (KAP) IN COMPLEX WITH PHOSPHO-CDK2 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CELL DIVISION PROTEIN KINASE 2, CYCLIN-DEPENDENT KINASE INHIBITOR 3, ... | | Authors: | Song, H, Hanlon, N, Brown, N.R, Noble, M.E.M, Johnson, L.N, Barford, D. | | Deposit date: | 2000-09-01 | | Release date: | 2001-05-09 | | Last modified: | 2018-03-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Phosphoprotein-protein interactions revealed by the crystal structure of kinase-associated phosphatase in complex with phosphoCDK2.
Mol.Cell, 7, 2001
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3HXY
 | | Crystal Structure of catalytic fragment of E. coli AlaRS in complex with AMPPCP, Ala-AMP and PCP | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, 5'-O-[(R)-{[(2S)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine, Alanyl-tRNA synthetase, ... | | Authors: | Guo, M, Yang, X.-L, Schimmel, P. | | Deposit date: | 2009-06-22 | | Release date: | 2009-12-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma.
Nature, 462, 2009
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2VLW
 | | Crystal structure of the muscarinic toxin MT7 diiodoTYR51 derivative. | | Descriptor: | ACETATE ION, MUSCARINIC M1-TOXIN1, SULFATE ION | | Authors: | Menez, R, Granata, V, Mourier, G, Fruchart-Gaillard, C, Menez, A, Servant, D, Stura, E.A. | | Deposit date: | 2008-01-17 | | Release date: | 2008-10-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Different Interactions between Mt7 Toxin and the Human Muscarinic M1 Receptor in its Free and N-Methylscopolamine-Occupied States.
Mol.Pharmacol., 74, 2008
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3HNL
 | | Crystal structure of the Cu-induced dimer of the engineered cyt cb562 variant RIDC-1 | | Descriptor: | CHLORIDE ION, COPPER (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Salgado, E.N, Lewis, R.A, Brodin, J, Tezcan, F.A. | | Deposit date: | 2009-05-31 | | Release date: | 2010-02-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Metal templated design of protein interfaces.
Proc.Natl.Acad.Sci.USA, 107, 2010
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1KO9
 | | Native Structure of the Human 8-oxoguanine DNA Glycosylase hOGG1 | | Descriptor: | 8-oxoguanine DNA glycosylase, SULFATE ION | | Authors: | Bjoras, M, Seeberg, E, Luna, L, Pearl, L.H, Barrett, T.E. | | Deposit date: | 2001-12-20 | | Release date: | 2002-01-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Reciprocal "flipping" underlies substrate recognition and catalytic activation by the human 8-oxo-guanine DNA glycosylase.
J.Mol.Biol., 317, 2002
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7PAE
 | | The crystal structure of Deltarasin in complex with PDE6D | | Descriptor: | ACETIC ACID, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, deltarasin | | Authors: | Beaumont, E, Williams, D. | | Deposit date: | 2021-07-29 | | Release date: | 2022-06-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects.
Blood Cancer J, 12, 2022
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2H6D
 | | Protein Kinase Domain of the Human 5'-AMP-activated protein kinase catalytic subunit alpha-2 (AMPK alpha-2 chain) | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-2 | | Authors: | Littler, D.R, Walker, J.R, Wybenga-Groot, L, Newman, E.M, Butler-Cole, C, Mackenzie, F, Finerty, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-05-31 | | Release date: | 2006-06-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A conserved mechanism of autoinhibition for the AMPK kinase domain: ATP-binding site and catalytic loop refolding as a means of regulation.
Acta Crystallogr.,Sect.F, 66, 2010
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2OVY
 | | Crystal structure of the catalytic domain of rat phosphodiesterase 10A | | Descriptor: | 6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE, MAGNESIUM ION, Phosphodiesterase-10A, ... | | Authors: | Pandit, J, Marr, E.S. | | Deposit date: | 2007-02-15 | | Release date: | 2007-03-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of a series of 6,7-dimethoxy-4-pyrrolidylquinazoline PDE10A inhibitors
J.Med.Chem., 50, 2007
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