5K9I
 
 | | Crystal structure of c-SRC in complex with a covalent lysine probe | | Descriptor: | 4-[(4-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Wan, X, Ouyang, S, Zhao, Q, Taunton, J. | | Deposit date: | 2016-05-31 | | Release date: | 2017-02-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Broad-Spectrum Kinase Profiling in Live Cells with Lysine-Targeted Sulfonyl Fluoride Probes.
J. Am. Chem. Soc., 139, 2017
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5JV1
 | | Crystal structure of human FPPS in complex with an allosteric inhibitor CL-08-066 | | Descriptor: | Farnesyl pyrophosphate synthase, SULFATE ION, [(1R)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid | | Authors: | Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2016-05-10 | | Release date: | 2017-03-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
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5EUL
 | | Structure of the SecA-SecY complex with a translocating polypeptide substrate | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, AYC08, BERYLLIUM TRIFLUORIDE ION, ... | | Authors: | Li, L, Park, E, Ling, J, Ingram, J, Ploegh, H, Rapoport, T.A. | | Deposit date: | 2015-11-18 | | Release date: | 2016-03-09 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Crystal structure of a substrate-engaged SecY protein-translocation channel.
Nature, 531, 2016
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4DJW
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6H35
 | | Myxococcus xanthus MglA bound to GDP and Pi with mixed inactive and active switch region conformations | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GUANOSINE-5'-DIPHOSPHATE, Mutual gliding-motility protein MglA, ... | | Authors: | Varela, P.F, Galicia, C, Cherfils, J. | | Deposit date: | 2018-07-17 | | Release date: | 2019-12-04 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | MglA functions as a three-state GTPase to control movement reversals of Myxococcus xanthus.
Nat Commun, 10, 2019
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1ZUV
 | | 24 NMR structures of AcAMP2-Like Peptide with Phenylalanine 18 mutated to Tryptophan | | Descriptor: | AMARANTHUS CAUDATUS ANTIMICROBIAL PEPTIDE 2 | | Authors: | Chavez, M.I, Andreu, C, Vidal, P, Freire, F, Aboitiz, N, Groves, P, Asensio, J.L, Asensio, G, Muraki, M, Canada, F.J, Jimenez-Barbero, J. | | Deposit date: | 2005-06-01 | | Release date: | 2005-12-06 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | On the Importance of Carbohydrate-Aromatic Interactions for the Molecular Recognition of Oligosaccharides by Proteins: NMR Studies of the Structure and Binding Affinity of AcAMP2-like Peptides with Non-Natural Naphthyl and Fluoroaromatic Residues
Chemistry, 11, 2005
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4MCP
 | | A high resolution structure of human glutamate carboxypeptidase II (GCPII) in complex with folyl-gamma-L-glutamic acid (pteroyldi-gamma-L-glutamic acid) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Navratil, M, Barinka, C, Lubkowski, J. | | Deposit date: | 2013-08-21 | | Release date: | 2014-06-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural and biochemical characterization of the folyl-poly-gamma-l-glutamate hydrolyzing activity of human glutamate carboxypeptidase II.
Febs J., 281, 2014
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4MCS
 | | A high resolution structure of human glutamate carboxypeptidase II (GCPII) His475Tyr variant in complex with glutamic acid | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ASPARTIC ACID, ... | | Authors: | Ptacek, J, Barinka, C, Sacha, P, Navratil, M. | | Deposit date: | 2013-08-21 | | Release date: | 2014-06-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structural and biochemical characterization of the folyl-poly-gamma-l-glutamate hydrolyzing activity of human glutamate carboxypeptidase II.
Febs J., 281, 2014
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6C10
 | | Crystal structure of mouse PCDH15 EC11-EL | | Descriptor: | Protocadherin-15, alpha-D-mannopyranose | | Authors: | Gouaux, E, Elferich, J, Ge, J. | | Deposit date: | 2018-01-03 | | Release date: | 2018-08-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Structure of mouse protocadherin 15 of the stereocilia tip link in complex with LHFPL5.
Elife, 7, 2018
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6C15
 | | CD1c in complex with phosphatidylcholine | | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Wun, K.S, Rossjohn, J. | | Deposit date: | 2018-01-03 | | Release date: | 2018-03-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | T cell autoreactivity directed toward CD1c itself rather than toward carried self lipids.
Nat. Immunol., 19, 2018
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6GXB
 | | Carbonic Anhydrase CAIX mimic in complex with inhibitor JS13 | | Descriptor: | Carbonic anhydrase 2, ZINC ION, ~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]ethanamide | | Authors: | Brynda, J, Rezacova, P, Pospisilova, K. | | Deposit date: | 2018-06-27 | | Release date: | 2019-05-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Inhibitor-Polymer Conjugates as a Versatile Tool for Detection and Visualization of Cancer-Associated Carbonic Anhydrase Isoforms
Acs Omega, 4, 2019
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5FIY
 | | crystal structure of coiled coil domain of PAWR | | Descriptor: | POTASSIUM ION, PRKC APOPTOSIS WT1 REGULATOR PROTEIN | | Authors: | Tiruttani Subhramanyam, U.K, Kubicek, J, Eidhoff, U.B, Labahn, J. | | Deposit date: | 2015-10-03 | | Release date: | 2016-11-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for the regulatory interactions of proapoptotic Par-4.
Cell Death Differ., 24, 2017
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5FSM
 | | MTH1 substrate recognition: Complex with a methylbenzimidazolyl acetamide. | | Descriptor: | 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J. | | Deposit date: | 2016-01-06 | | Release date: | 2016-07-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
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5FSO
 | | MTH1 substrate recognition: Complex with a methylaminopyrimidinedione. | | Descriptor: | 6-(METHYLAMINO)-1H-PYRIMIDINE-2,4-DIONE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, ... | | Authors: | Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J. | | Deposit date: | 2016-01-06 | | Release date: | 2017-01-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | MTH1 Substrate Recognition--An Example of Specific Promiscuity.
PLoS ONE, 11, 2016
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5FN0
 | | Crystal structure of Pseudomonas fluorescens kynurenine-3- monooxygenase (KMO) in complex with GSK180 | | Descriptor: | 3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, KYNURENINE 3-MONOOXYGENASE | | Authors: | Mole, D.J, Webster, S.P, Uings, I, Zheng, X, Binnie, M, Wilson, K, Hutchinson, J.P, Mirguet, O, Walker, A, Beaufils, B, Ancellin, N, Trottet, L, Beneton, V, Mowat, C.G, Wilkinson, M, Rowland, P, Haslam, C, McBride, A, Homer, N.Z.M, Baily, J.E, Sharp, M.G.F, Garden, O.J, Hughes, J, Howie, S.E.M, Holmes, D, Liddle, J, Iredale, J.P. | | Deposit date: | 2015-11-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Kynurenine-3-Monooxygenase Inhibition Prevents Multiple Organ Failure in Rodent Models of Acute Pancreatitis.
Nat.Med. (N.Y.), 22, 2016
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5FSI
 | | MTH1 substrate recognition: Complex with 8-oxo-dGTP. | | Descriptor: | 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE | | Authors: | Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J. | | Deposit date: | 2016-01-06 | | Release date: | 2016-07-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
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4H83
 | | Crystal structure of Mandelate racemase/muconate lactonizing enzyme (EFI target:502127) | | Descriptor: | BICARBONATE ION, GLYCEROL, Mandelate racemase/muconate lactonizing enzyme, ... | | Authors: | Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-09-21 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.094 Å) | | Cite: | Crystal structure of Mandelate racemase/muconate lactonizing enzyme
To be Published
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6CQA
 | | E. coli DHFR complex with inhibitor AMPQD | | Descriptor: | 7-[(3-aminophenyl)methyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, SULFATE ION | | Authors: | Cao, H, Rodrigues, J, Benach, J, Wasserman, S, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | | Deposit date: | 2018-03-14 | | Release date: | 2019-01-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release.
Commun Biol, 1, 2018
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5FSN
 | | MTH1 substrate recognition: Complex with a aminomethylpyrimidinyl oxypropanol. | | Descriptor: | 3-(2-AMINO-6-METHYL-PYRIMIDIN-4-YL)OXYPROPAN-1-OL, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, ... | | Authors: | Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J. | | Deposit date: | 2016-01-06 | | Release date: | 2016-07-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
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5FSK
 | | MTH1 substrate recognition: Complex with 8-oxo-dGTP. | | Descriptor: | 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 8-OXO-ADENOSINE-5'-TRIPHOSPHATE, ACETATE ION | | Authors: | Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J. | | Deposit date: | 2016-01-06 | | Release date: | 2016-07-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
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5JVI
 | | Thermolysin in complex with JC148. | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Krimmer, S.G, Cramer, J, Heine, A, Klebe, G. | | Deposit date: | 2016-05-11 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands.
J. Med. Chem., 59, 2016
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6G98
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6CUH
 | | Crystal structure of the unliganded BC8B TCR | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Shahine, A.E, Rossjohn, J. | | Deposit date: | 2018-03-26 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | A T-cell receptor escape channel allows broad T-cell response to CD1b and membrane phospholipids.
Nat Commun, 10, 2019
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6CW6
 | | Structure of alpha-GC[8,18] bound by CD1d and in complex with the Va14Vb8.2 TCR | | Descriptor: | (2S,3S,4R)-N-OCTANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wang, J, Zajonc, D. | | Deposit date: | 2018-03-29 | | Release date: | 2019-04-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides.
J.Biol.Chem., 294, 2019
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5K1U
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