1CZI
| CHYMOSIN COMPLEX WITH THE INHIBITOR CP-113972 | Descriptor: | CHYMOSIN, CP-113972 (NORSTATINE-S-METHYL CYSTEINE-IODO-PHENYLALANINE-PROLINE) | Authors: | Groves, M.R, Dhanaraj, V, Pitts, J.E, Badasso, M, Hoover, D, Nugent, P, Blundell, T.L. | Deposit date: | 1997-01-15 | Release date: | 1997-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A 2.3 A resolution structure of chymosin complexed with a reduced bond inhibitor shows that the active site beta-hairpin flap is rearranged when compared with the native crystal structure. Protein Eng., 11, 1998
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7O9T
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7O9Z
| Crystal structure of Human Menin in complex with BD-08 | Descriptor: | (~{E})-2-cyano-3-(2~{H}-indazol-6-yl)-~{N}-(2-morpholin-4-ylethyl)prop-2-enamide, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Groves, M.R, Gao, K. | Deposit date: | 2021-04-18 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.979 Å) | Cite: | Crystal structure of Human Menin in complex with BD-08 To Be Published
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7O9X
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7OA9
| Crystal structure of Human Menin in complex with Fragment 21 | Descriptor: | (~{E})-2-cyano-3-(4-hydroxyphenyl)-~{N}-(2-morpholin-4-ylethyl)prop-2-enamide, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Groves, M.R, Gao, K. | Deposit date: | 2021-04-19 | Release date: | 2022-08-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | Crystal structure of Human Menin in complex with Fragment 21 To Be Published
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1PCI
| PROCARICAIN | Descriptor: | PROCARICAIN | Authors: | Groves, M.R, Taylor, M.A.J, Scott, M, Cummings, N.J, Pickersgill, R.W, Jenkins, J.A. | Deposit date: | 1996-06-28 | Release date: | 1997-04-01 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The prosequence of procaricain forms an alpha-helical domain that prevents access to the substrate-binding cleft. Structure, 4, 1996
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2OB2
| ppm1 in the absence of 1,8-ANS (cf 1JD) | Descriptor: | GLYCEROL, Leucine carboxyl methyltransferase 1, PHOSPHATE ION, ... | Authors: | Groves, M.R, Mueller, I.B, Kreplin, X, Mueller-Dieckmann, J. | Deposit date: | 2006-12-18 | Release date: | 2007-01-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | A method for the general identification of protein crystals in crystallization experiments using a noncovalent fluorescent dye. Acta Crystallogr.,Sect.D, 63, 2007
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2OB1
| ppm1 with 1,8-ANS | Descriptor: | Leucine carboxyl methyltransferase 1, PHOSPHATE ION | Authors: | Groves, M.R. | Deposit date: | 2006-12-18 | Release date: | 2007-01-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A method for the general identification of protein crystals in crystallization experiments using a noncovalent fluorescent dye. Acta Crystallogr.,Sect.D, 63, 2007
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1B3U
| CRYSTAL STRUCTURE OF CONSTANT REGULATORY DOMAIN OF HUMAN PP2A, PR65ALPHA | Descriptor: | PROTEIN (PROTEIN PHOSPHATASE PP2A) | Authors: | Groves, M.R, Hanlon, N, Turowski, P, Hemmings, B, Barford, D. | Deposit date: | 1998-12-14 | Release date: | 1999-04-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The structure of the protein phosphatase 2A PR65/A subunit reveals the conformation of its 15 tandemly repeated HEAT motifs. Cell(Cambridge,Mass.), 96, 1999
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1BZJ
| Human ptp1b complexed with tpicooh | Descriptor: | 6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBOXYLIC ACID, PROTEIN (PROTEIN-TYROSINE-PHOSPHATASE) | Authors: | Groves, M.R, Yao, Z.-J, Barford Jr, D.T.B. | Deposit date: | 1998-10-29 | Release date: | 1999-02-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural basis for inhibition of the protein tyrosine phosphatase 1B by phosphotyrosine peptide mimetics. Biochemistry, 37, 1998
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1BZH
| Cyclic peptide inhibitor of human PTP1B | Descriptor: | PROTEIN (PROTEIN-TYROSINE-PHOSPHATASE 1B INHIBITOR), PROTEIN (PROTEIN-TYROSINE-PHOSPHATASE 1B) | Authors: | Groves, M.R, Yao, Z.J, Burke Jr, T.R, Barford, D. | Deposit date: | 1998-10-28 | Release date: | 1999-02-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for inhibition of the protein tyrosine phosphatase 1B by phosphotyrosine peptide mimetics. Biochemistry, 37, 1998
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1BZC
| HUMAN PTP1B CATALYTIC DOMAIN COMPLEXED WITH TPI | Descriptor: | 4-CARBAMOYL-4-{[6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBONYL]-AMINO}-BUTYRIC ACID, PROTEIN (PROTEIN-TYROSINE-PHOSPHATASE) | Authors: | Groves, M.R, Yao, Z.J, Jr Burke, T.R, Barford, D. | Deposit date: | 1998-10-27 | Release date: | 1999-02-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural basis for inhibition of the protein tyrosine phosphatase 1B by phosphotyrosine peptide mimetics. Biochemistry, 37, 1998
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6SKV
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6SKS
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6SKT
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6S2K
| Human Menin in complex with AJ21 | Descriptor: | Multiple endocrine neoplasia I, isoform CRA_b, ~{N}-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine | Authors: | Groves, M.R, Gao, K. | Deposit date: | 2019-06-21 | Release date: | 2021-01-13 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Human Menin in complex with AJ21 To Be Published
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5NKZ
| Crystal structure of H. polymorpha ubiquitin conjugating enzyme Pex4p in complex with soluble domain of Pex22p | Descriptor: | Peroxin 22, Ubiquitin-conjugating enzyme E2-21 kDa | Authors: | Danda, N, Lunev, S, Ali, A, Groves, M.R, Williams, C. | Deposit date: | 2017-04-03 | Release date: | 2018-01-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural insights into K48-linked ubiquitin chain formation by the Pex4p-Pex22p complex. Biochem. Biophys. Res. Commun., 496, 2018
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3K7Y
| Aspartate Aminotransferase of Plasmodium falciparum | Descriptor: | ACETATE ION, Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Groves, M.R, Jordanova, R, Jain, R, Wrenger, C, Muller, I.B. | Deposit date: | 2009-10-13 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Specific Inhibition of the Aspartate Aminotransferase of Plasmodium falciparum. J.Mol.Biol., 405, 2011
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6SU9
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6HL7
| Crystal structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with mutated active site (R109A/K138A) and N-carbamoyl-L-phosphate bound | Descriptor: | Aspartate transcarbamoylase, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER | Authors: | Bosch, S.S, Lunev, S, Wrenger, C, Groves, M.R. | Deposit date: | 2018-09-10 | Release date: | 2018-09-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular Target Validation of Aspartate Transcarbamoylase fromPlasmodium falciparumby Torin 2. Acs Infect Dis., 6, 2020
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8Q5Z
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8R2H
| Cryo-EM structure of 1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Plasmodium falciparum | Descriptor: | 1-deoxy-D-xylulose-5-phosphate synthase, MAGNESIUM ION, THIAMINE DIPHOSPHATE | Authors: | Gawriljuk, V.O, Godoy, A.S, Oerlemans, R, Groves, M.R. | Deposit date: | 2023-11-06 | Release date: | 2024-06-12 | Last modified: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (2.42 Å) | Cite: | Cryo-EM structure of 1-deoxy-D-xylulose 5-phosphate synthase DXPS from Plasmodium falciparum reveals a distinct N-terminal domain. Nat Commun, 15, 2024
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7NT2
| Crystal structure of SARS CoV2 main protease in complex with FSP006 | Descriptor: | 3C-like proteinase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | Deposit date: | 2021-03-08 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.145 Å) | Cite: | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification. Angew.Chem.Int.Ed.Engl., 60, 2021
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7NT1
| Crystal structure of SARS CoV2 main protease in complex with FSP007 | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, [(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate | Authors: | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | Deposit date: | 2021-03-08 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification. Angew.Chem.Int.Ed.Engl., 60, 2021
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7NT3
| Crystal structure of SARS CoV2 main protease in complex with FSCU015 | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(1~{S})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{N}-propyl-prop-2-enamide | Authors: | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | Deposit date: | 2021-03-08 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.325 Å) | Cite: | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification. Angew.Chem.Int.Ed.Engl., 60, 2021
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