2LDI
 
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8A9S
 | | Crystal structure of Ca2+-discharged obelin in complex with coelenteramine-v | | Descriptor: | 3-azanyl-2-(phenylmethyl)benzo[f]quinoxalin-8-ol, DIMETHYL SULFOXIDE, Obelin, ... | | Authors: | Kovaleva, M.I, Natashin, P.V, Schevtsov, M.B, Eremeeva, E.V, Bukhdruker, S.S, Dmitrieva, D.A, Mishin, A.V, Vysotski, E.S, Borshchevskiy, V.I. | | Deposit date: | 2022-06-29 | | Release date: | 2022-10-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of semi-synthetic obelin-v after calcium induced bioluminescence implies coelenteramine as the main reaction product.
Sci Rep, 12, 2022
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5G5J
 | | Crystal structure of human CYP3A4 bound to metformin | | Descriptor: | CYTOCHROME P450 3A4, Metformin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I. | | Deposit date: | 2016-05-25 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Heme Binding Biguanides Target Cytochrome P450-Dependent Cancer Cell Mitochondria.
Cell Chem Biol, 24, 2017
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7X7O
 | | SARS-CoV-2 spike RBD in complex with neutralizing antibody UT28K | | Descriptor: | Spike protein S1, UT28K Fab, heavy chain, ... | | Authors: | Ozawa, T, Tani, H, Anraku, Y, Kita, S, Igarashi, E, Saga, Y, Inasaki, N, Kawasuji, H, Yamada, H, Sasaki, S, Somekawa, M, Sasaki, J, Hayakawa, Y, Yamamoto, Y, Morinaga, Y, Kurosawa, N, Isobe, M, Fukuhara, H, Maenaka, K, Hashiguchi, T, Kishi, H, Kitajima, I, Saito, S, Niimi, H. | | Deposit date: | 2022-03-10 | | Release date: | 2022-05-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.75 Å) | | Cite: | Novel super-neutralizing antibody UT28K is capable of protecting against infection from a wide variety of SARS-CoV-2 variants.
Mabs, 14, 2022
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7AQP
 | | T262S, A251S, L254S, L211Q mutant of carboxypeptidase T from Thermoactinomyces vulgaris | | Descriptor: | CALCIUM ION, Carboxypeptidase T, SULFATE ION, ... | | Authors: | Timofeev, V.I, Akparov, V.K, Kuranova, I.P. | | Deposit date: | 2020-10-22 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | T262S, A251S, L254S, L211Q mutant of carboxypeptidase T from Thermoactinomyces vulgaris
To Be Published
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2J5T
 | | Glutamate 5-kinase from Escherichia coli complexed with glutamate | | Descriptor: | CHLORIDE ION, GLUTAMATE 5-KINASE, GLUTAMIC ACID, ... | | Authors: | Marco-Marin, C, Gil-Ortiz, F, Perez-Arellano, I, Cervera, J, Fita, I, Rubio, V. | | Deposit date: | 2006-09-19 | | Release date: | 2007-03-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A Novel Two-Domain Architecture within the Amino Acid Kinase Enzyme Family Revealed by the Crystal Structure of Escherichia Coli Glutamate 5-Kinase.
J.Mol.Biol., 367, 2007
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7ARU
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6ELY
 | | Crystal Structure of Mistletoe Lectin I (ML-I) from Viscum album in Complex with 4-N-Furfurylcytosine at 2.84 A Resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-N-Furfurylcytosine, ... | | Authors: | Ahmad, M.S, Rasheed, S, Falke, S, Khaliq, B, Perbandt, M, Choudhary, M.I, Markiewicz, W.T, Barciszewski, J, Betzel, C. | | Deposit date: | 2017-09-30 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Crystal Structure of Mistletoe Lectin I (ML-I) from Viscum album in Complex with 4-N-Furfurylcytosine at 2.85 angstrom Resolution.
Med Chem, 14, 2018
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1VAC
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1VAD
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7AT4
 | | Structure of EstD11 in complex with Naproxen | | Descriptor: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, EstD11, FORMIC ACID | | Authors: | Miguel-Ruano, V, Rivera, I, Hermoso, J.A. | | Deposit date: | 2020-10-28 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
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5JHD
 | | Crystal structure of LS10-TCR/M1-HLA-A*02 complex | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | | Authors: | Stern, L.J, Selin, L.K, Song, I. | | Deposit date: | 2016-04-20 | | Release date: | 2017-03-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Broad TCR repertoire and diverse structural solutions for recognition of an immunodominant CD8(+) T cell epitope.
Nat. Struct. Mol. Biol., 24, 2017
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2IVJ
 | | Isopenicillin N Synthase From Aspergillus Nidulans (Anaerobic Ac- cyclopropylglycine Fe Complex) | | Descriptor: | D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-CYCLOPROPYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ... | | Authors: | Howard-Jones, A.R, Elkins, J.M, Clifton, I.J, Roach, P.L, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | | Deposit date: | 2006-06-13 | | Release date: | 2007-04-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Interactions of Isopenicillin N Synthase with Cyclopropyl-Containing Substrate Analogues Reveal New Mechanistic Insight.
Biochemistry, 46, 2007
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2IVI
 | | Isopenicillin N Synthase From Aspergillus Nidulans (Anaerobic Ac- methyl-cyclopropylglycine Fe Complex) | | Descriptor: | D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-B-METHYL-D-CYCLOPROPYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ... | | Authors: | Elkins, J.M, Howard-Jones, A.R, Clifton, I.J, Roach, P.L, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | | Deposit date: | 2006-06-13 | | Release date: | 2007-04-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Interactions of Isopenicillin N Synthase with Cyclopropyl-Containing Substrate Analogues Reveal New Mechanistic Insight.
Biochemistry, 46, 2007
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8BQY
 | | An i-motif domain able to undergo pH-dependent conformational transitions (acidic structure) | | Descriptor: | DNA (5'-D(*CP*(DNR)P*GP*TP*TP*(DNR)P*(DNR)P*GP*TP*TP*TP*TP*TP*CP*CP*GP*TP*TP*(DNR)P*CP*GP*T)-3') | | Authors: | Serrano-Chacon, I, Mir, B, Cupellini, L, Colizzi, F, Orozco, M, Escaja, N, Gonzalez, C. | | Deposit date: | 2022-11-22 | | Release date: | 2023-02-22 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | pH-Dependent Capping Interactions Induce Large-Scale Structural Transitions in i-Motifs.
J.Am.Chem.Soc., 145, 2023
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6ZN1
 | | Trehalose transferase bound to alpha-D-glucopyranosyl-beta-galactopyranose from Thermoproteus uzoniensis | | Descriptor: | DI(HYDROXYETHYL)ETHER, THIOCYANATE ION, Trehalose phosphorylase/synthase, ... | | Authors: | Bento, I, Mestrom, L, Marsden, S.R, van der Eijk, H, Laustsen, J.U, Jeffries, C.M, Svergun, D.I, Hagedoorn, P.-H, Hanefeld, U. | | Deposit date: | 2020-07-06 | | Release date: | 2021-01-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Anomeric Selectivity of Trehalose Transferase with Rare l-Sugars.
ACS Catal, 10, 2020
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6ZNX
 | | Ribokinase from Thermus Species | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Ribokinase | | Authors: | Timofeev, V.I, Abramchik, Y.A, Tuzova, E.S, Esipova, L.V, Mikheeva, O.O, Kostromina, M.A, Kuranova, I.P, Esipov, R.S. | | Deposit date: | 2020-07-07 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Ribokinase from Thermus Species
To Be Published
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1LW2
 | | CRYSTAL STRUCTURE OF T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH 1051U91 | | Descriptor: | 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | | Authors: | Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2002-05-30 | | Release date: | 2002-10-30 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
J.Virol., 76, 2002
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5F4N
 | | Multi-parameter lead optimization to give an oral CHK1 inhibitor clinical candidate: (R)-5-((4-((morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737) | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Serine/threonine-protein kinase Chk1, ... | | Authors: | Collins, I, Garrett, M.D, van Montfort, R, Osborne, J.D, Matthews, T.P, McHardy, T, Proisy, N, Cheung, K.J, Lainchbury, M, Brown, N, Walton, M.I, Eve, P.D, Boxall, K.J, Hayes, A, Henley, A.T, Valenti, M.R, De Haven Brandon, A.K, Box, G, Westwood, I.M, Jamin, Y, Robinson, S.P, Leonard, P, Reader, J.C, Aherne, G.W, Raynaud, F.I, Eccles, S.A. | | Deposit date: | 2015-12-03 | | Release date: | 2016-05-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737).
J.Med.Chem., 59, 2016
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7B76
 | | Crystal structure of the effector AvrLm5-9 from Leptosphaeria maculans | | Descriptor: | Avirulence protein LmJ1, IODIDE ION | | Authors: | Lazar, N, Mesarich, C, Petit-Houdenot, Y, Talbi, N, Li de la Sierra-Gallay, I, Zelie, E, Blondeau, K, Gracy, J, Ollivier, B, van de Wouw, A, Balesdent, M.H, Idnurm, A, van Tilbeurgh, H, Fudal, I. | | Deposit date: | 2020-12-09 | | Release date: | 2022-01-12 | | Last modified: | 2023-03-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins.
Plos Pathog., 18, 2022
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8RUF
 | | Crystal structure of Rhizobium etli L-asparaginase ReAV D187A mutant | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Pokrywka, K, Grzechowiak, M, Sliwiak, J, Worsztynowicz, P, Loch, J.I, Ruszkowski, M, Gilski, M, Jaskolski, M. | | Deposit date: | 2024-01-30 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Probing the active site of Class 3 L-asparaginase by mutagenesis. I. Tinkering with the zinc coordination site of ReAV.
Front Chem, 12, 2024
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8RUA
 | | Crystal structure of Rhizobium etli L-asparaginase ReAV C135A mutant | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Pokrywka, K, Grzechowiak, M, Sliwiak, J, Worsztynowicz, P, Loch, J.I, Ruszkowski, M, Gilski, M, Jaskolski, M. | | Deposit date: | 2024-01-30 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Probing the active site of Class 3 L-asparaginase by mutagenesis. I. Tinkering with the zinc coordination site of ReAV.
Front Chem, 12, 2024
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8RUD
 | | Crystal structure of Rhizobium etli L-asparaginase ReAV K138A mutant | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Pokrywka, K, Grzechowiak, M, Sliwiak, J, Worsztynowicz, P, Loch, J.I, Ruszkowski, M, Gilski, M, Jaskolski, M. | | Deposit date: | 2024-01-30 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Probing the active site of Class 3 L-asparaginase by mutagenesis. I. Tinkering with the zinc coordination site of ReAV.
Front Chem, 12, 2024
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8RUG
 | | Crystal structure of Rhizobium etli L-asparaginase ReAV C189A mutant | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Pokrywka, K, Grzechowiak, M, Sliwiak, J, Worsztynowicz, P, Loch, J.I, Ruszkowski, M, Gilski, M, Jaskolski, M. | | Deposit date: | 2024-01-30 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Probing the active site of Class 3 L-asparaginase by mutagenesis. I. Tinkering with the zinc coordination site of ReAV.
Front Chem, 12, 2024
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8RUE
 | | Crystal structure of Rhizobium etli L-asparaginase ReAV H139A mutant | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Pokrywka, K, Grzechowiak, M, Sliwiak, J, Worsztynowicz, P, Loch, J.I, Ruszkowski, M, Gilski, M, Jaskolski, M. | | Deposit date: | 2024-01-30 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Probing the active site of Class 3 L-asparaginase by mutagenesis. I. Tinkering with the zinc coordination site of ReAV.
Front Chem, 12, 2024
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