6B6F
 
 | |
6USZ
 | | Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Vigers, G.P, Smith, D.J. | | Deposit date: | 2019-10-28 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
|
|
6B69
 | | Beta-Lactamase, 500ms timepoint, mixed, shards crystal form | | Descriptor: | (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, (2R)-2-[(S)-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-(hydroxymethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, ... | | Authors: | Pandey, S, Schmidt, M. | | Deposit date: | 2017-10-01 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
|
|
7Q6C
 | | complement C6 FIM1-2 bound to CP010 antibody | | Descriptor: | ACETATE ION, CP010 heavy chain, CP010 light chain, ... | | Authors: | Olesen, H.G, Andersen, G.R. | | Deposit date: | 2021-11-06 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.29274 Å) | | Cite: | Development, Characterization, and in vivo Validation of a Humanized C6 Monoclonal Antibody that Inhibits the Membrane Attack Complex.
J Innate Immun, 2022
|
|
6B6D
 | | Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 100ms | | Descriptor: | (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone | | Authors: | Pandey, S, Schmidt, M. | | Deposit date: | 2017-10-01 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
|
|
2N7D
 | |
6USX
 | | Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer | | Descriptor: | 1-{4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Vigers, G.P, Smith, D.J. | | Deposit date: | 2019-10-28 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
|
|
6B5Y
 | | Beta-lactamase, mixed with Ceftriaxone, 30ms time point, Shards crystal form | | Descriptor: | Beta-lactamase, Ceftriaxone, PHOSPHATE ION | | Authors: | Pandey, S, Schmidt, M. | | Deposit date: | 2017-09-29 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
|
|
6B6B
 | |
6B6A
 | | Beta-Lactamase, 2secs timepoint, mixed, shards crystal form | | Descriptor: | (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone, ... | | Authors: | Pandey, S, Schmidt, M. | | Deposit date: | 2017-10-01 | | Release date: | 2018-06-27 | | Last modified: | 2020-01-15 | | Method: | X-RAY DIFFRACTION (2.298 Å) | | Cite: | Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
|
|
6UT0
 | | Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Vigers, G.P, Smith, D.J. | | Deposit date: | 2019-10-29 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
|
|
3BI0
 | |
6B6C
 | |
6B6E
 | | Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 500ms | | Descriptor: | (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone | | Authors: | Pandey, S, Schmidt, M. | | Deposit date: | 2017-10-01 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
|
|
6B68
 | | Beta-Lactamase, 100ms timepoint, mixed, shards crystal form | | Descriptor: | (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone, ... | | Authors: | Pandey, S, Schmidt, M. | | Deposit date: | 2017-10-01 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
|
|
6VCH
 | | Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase in complex with 3-hydroxy-beta-apo-14'-carotenal | | Descriptor: | (2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal, CHLORIDE ION, COBALT (II) ION, ... | | Authors: | Daruwalla, A, Shi, W, Kiser, P.D. | | Deposit date: | 2019-12-20 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6VCF
 | | Crystal structure of Nitrosotalea devanaterra carotenoid cleavage dioxygenase, iron form | | Descriptor: | BICARBONATE ION, CHLORIDE ION, FE (II) ION, ... | | Authors: | Daruwalla, A, Shi, W, Kiser, P.D. | | Deposit date: | 2019-12-20 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.687 Å) | | Cite: | Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6N1Y
 | | Structure of L509V CAO1 - growth condition 1 | | Descriptor: | CHLORIDE ION, Carotenoid oxygenase, FE (II) ION | | Authors: | Khadka, N, Kiser, P.D. | | Deposit date: | 2018-11-12 | | Release date: | 2019-06-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Evidence for distinct rate-limiting steps in the cleavage of alkenes by carotenoid cleavage dioxygenases.
J.Biol.Chem., 294, 2019
|
|
6N21
 | | Structure of wild-type CAO1 | | Descriptor: | CHLORIDE ION, Carotenoid oxygenase, FE (II) ION | | Authors: | Khadka, N, Kiser, P.D. | | Deposit date: | 2018-11-12 | | Release date: | 2019-06-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Evidence for distinct rate-limiting steps in the cleavage of alkenes by carotenoid cleavage dioxygenases.
J.Biol.Chem., 294, 2019
|
|
3BI1
 | |
3BXM
 | | Structure of an inactive mutant of human glutamate carboxypeptidase II [GCPII(E424A)] in complex with N-acetyl-Asp-Glu (NAAG) | | 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: | Lubkowski, J, Barinka, C. | | Deposit date: | 2008-01-14 | | Release date: | 2009-01-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Reaction mechanism of glutamate carboxypeptidase II revealed by mutagenesis, X-ray crystallography, and computational methods.
Biochemistry, 48, 2009
|
|
6N20
 | | Structure of L509V CAO1 - growth condition 2 | | Descriptor: | CHLORIDE ION, Carotenoid oxygenase, FE (II) ION | | Authors: | Khadka, N, Shi, W, Kiser, P.D. | | Deposit date: | 2018-11-12 | | Release date: | 2019-06-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Evidence for distinct rate-limiting steps in the cleavage of alkenes by carotenoid cleavage dioxygenases.
J.Biol.Chem., 294, 2019
|
|
6GKB
 | | Iron soak structure of Y40F SynFtn | | Descriptor: | FE (III) ION, Ferritin | | Authors: | Hemmings, A.M, Bradley, J.M. | | Deposit date: | 2018-05-18 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Reaction of O2with a diiron protein generates a mixed-valent Fe2+/Fe3+center and peroxide.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
6FRL
 | | BrvH, a flavin-dependent halogenase from Brevundimonas sp. BAL3 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Widmann, C, Neubauer, P.R, Sewald, N, Niemann, H.H. | | Deposit date: | 2018-02-16 | | Release date: | 2018-05-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A flavin-dependent halogenase from metagenomic analysis prefers bromination over chlorination.
PLoS ONE, 13, 2018
|
|
7V12
 | | Factor XIa in Complex with Compound 2f | | Descriptor: | 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-fluoranyl-pyridin-2-amine, CITRIC ACID, Coagulation factor XIa light chain | | Authors: | Shaffer, P.L, Spurlino, J, Milligan, C.M. | | Deposit date: | 2022-05-11 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.631 Å) | | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
|
|
