4UCG
 
 | | NmeDAH7PS R126S variant | | Descriptor: | DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE, ... | | Authors: | Cross, P.J, Heyes, L.C, Zhang, S, Nazmi, A.R, Parker, E.J. | | Deposit date: | 2014-12-03 | | Release date: | 2016-01-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Functional Unit of Neisseria Meningitidis 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase is Dimeric.
Plos One, 11, 2016
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4UC5
 | | Neisseria Meningitidis DAH7PS-Phenylalanine regulated | | Descriptor: | DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, PHENYLALANINE, ... | | Authors: | Heyes, L.C, Lang, E.J.M, Parker, E.J. | | Deposit date: | 2014-12-03 | | Release date: | 2015-11-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Calculated Pka Variations Expose Dynamic Allosteric Communication Networks.
J.Am.Chem.Soc., 138, 2016
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4UMB
 | | Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase - the importance of accommodating the active site water | | Descriptor: | (2R)-2-(phosphonooxy)propanoic acid, MANGANESE (II) ION, PHOSPHATE ION, ... | | Authors: | Heyes, L.C, Reichau, S, Cross, P.J, Parker, E.J. | | Deposit date: | 2014-05-16 | | Release date: | 2014-10-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water.
Bioorg.Chem., 57, 2014
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4UMA
 | | Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3 deoxy D arabino heptulosonate 7 phosphate synthase the importance of accommodating the active site water | | Descriptor: | (E)-2-METHYL-3-PHOSPHONOACRYLATE, MANGANESE (II) ION, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE | | Authors: | Heyes, L.C, Reichau, S, Cross, P.J, Parker, E.J. | | Deposit date: | 2014-05-16 | | Release date: | 2014-10-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water.
Bioorg.Chem., 57, 2014
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4USC
 | | Crystal structure of peroxidase from palm tree Chamaerops excelsa | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Bernardes, A, Santos, J.C, Textor, L.C, Cuadrado, N.H, Kostetsky, E.Y, Roig, M.G, Muniz, J.R.C, Shnyrov, V.L, Polikarpov, I. | | Deposit date: | 2014-07-07 | | Release date: | 2015-05-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure Analysis of Peroxidase from the Palm Tree Chamaerops Excelsa.
Biochimie, 111, 2015
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1E5R
 | | Proline 3-hydroxylase (type II) -apo form | | Descriptor: | PROLINE OXIDASE | | Authors: | Clifton, I.J, Hsueh, L.C, Baldwin, J.E, Schofield, C.J, Harlos, K. | | Deposit date: | 2000-07-28 | | Release date: | 2001-07-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of proline 3-hydroxylase. Evolution of the family of 2-oxoglutarate dependent oxygenases.
Eur.J.Biochem., 268, 2001
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7EHJ
 | | human MTHFD2 in complex with compound 21, cofactor and phosphate. | | Descriptor: | (2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | | Authors: | Lee, L.C, Peng, Y.H, Wu, S.Y. | | Deposit date: | 2021-03-29 | | Release date: | 2021-08-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Xanthine Derivatives Reveal an Allosteric Binding Site in Methylenetetrahydrofolate Dehydrogenase 2 (MTHFD2).
J.Med.Chem., 64, 2021
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7EHM
 | | Human MTHFD2 in complex with compound 21 and 15 | | Descriptor: | (2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid, (2S)-2-[[4-[[1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]phenyl]carbonylamino]pentanedioic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | | Authors: | Lee, L.C, Peng, Y.H, Wu, S.Y. | | Deposit date: | 2021-03-30 | | Release date: | 2021-08-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Xanthine Derivatives Reveal an Allosteric Binding Site in Methylenetetrahydrofolate Dehydrogenase 2 (MTHFD2).
J.Med.Chem., 64, 2021
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7EHN
 | | Human MTHFD2 in complex with compound 21 and 9 | | Descriptor: | (2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid, 3-[4-[[1-[(4-chloranyl-1H-indol-2-yl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-6-methyl-pyrimidin-2-yl]propanoic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | | Authors: | Lee, L.C, Peng, Y.H, Wu, S.Y. | | Deposit date: | 2021-03-30 | | Release date: | 2021-08-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Xanthine Derivatives Reveal an Allosteric Binding Site in Methylenetetrahydrofolate Dehydrogenase 2 (MTHFD2).
J.Med.Chem., 64, 2021
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7EHV
 | | Human MTHFD2 in complex with compound 21 and 3 | | Descriptor: | (2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid, 1-(3,4-dichlorobenzyl)-8-(((1R,4R)-4-hydroxycyclohexyl)amino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | | Authors: | Lee, L.C, Peng, Y.H, Wu, S.Y. | | Deposit date: | 2021-03-30 | | Release date: | 2021-08-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Xanthine Derivatives Reveal an Allosteric Binding Site in Methylenetetrahydrofolate Dehydrogenase 2 (MTHFD2).
J.Med.Chem., 64, 2021
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1EYF
 | | REFINED STRUCTURE OF THE DNA METHYL PHOSPHOTRIESTER REPAIR DOMAIN OF E. COLI ADA | | Descriptor: | ADA REGULATORY PROTEIN, ZINC ION | | Authors: | Lin, Y, Dotsch, V, Wintner, T, Peariso, K, Myers, L.C, Penner-Hahn, J.E, Verdine, G.L, Wagner, G. | | Deposit date: | 2000-05-06 | | Release date: | 2003-09-09 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural basis for the functional switch of the E. coli Ada protein
Biochemistry, 40, 2001
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1EFH
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1IRN
 | | RUBREDOXIN (ZN-SUBSTITUTED) AT 1.2 ANGSTROMS RESOLUTION | | Descriptor: | RUBREDOXIN, ZINC ION | | Authors: | Dauter, Z, Wilson, K.S, Sieker, L.C, Moulis, J.M, Meyer, J. | | Deposit date: | 1995-12-13 | | Release date: | 1996-04-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Zinc- and iron-rubredoxins from Clostridium pasteurianum at atomic resolution: a high-precision model of a ZnS4 coordination unit in a protein.
Proc.Natl.Acad.Sci.USA, 93, 1996
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1IRO
 | | RUBREDOXIN (OXIDIZED, FE(III)) AT 1.1 ANGSTROMS RESOLUTION | | Descriptor: | FE (III) ION, RUBREDOXIN | | Authors: | Dauter, Z, Wilson, K.S, Sieker, L.C, Moulis, J.M, Meyer, J. | | Deposit date: | 1995-12-13 | | Release date: | 1996-04-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Zinc- and iron-rubredoxins from Clostridium pasteurianum at atomic resolution: a high-precision model of a ZnS4 coordination unit in a protein.
Proc.Natl.Acad.Sci.USA, 93, 1996
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8U0O
 | | Synaptic complex of human DNA polymerase Lambda DL variant engaged on a DNA double-strand break containing an unpaired 3' primer terminus | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*AP*CP*GP*CP*GP*GP*CP*A)-3'), ... | | Authors: | Kaminski, A.M, Pedersen, L.C, Bebenek, K, Kunkel, T.A, Chiruvella, K.K, Ramsden, D.A. | | Deposit date: | 2023-08-29 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | DNA polymerase lambda Loop1 variant yields unexpected gain-of-function capabilities in nonhomologous end-joining.
DNA Repair (Amst), 136, 2024
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8U0P
 | | Synaptic complex of human DNA polymerase Lambda DL variant engaged on a noncomplementary DNA double-strand break | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), ... | | Authors: | Kaminski, A.M, Pedersen, L.C, Bebenek, K, Kunkel, T.A, Chiruvella, K.K, Ramsden, D.A. | | Deposit date: | 2023-08-29 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | DNA polymerase lambda Loop1 variant yields unexpected gain-of-function capabilities in nonhomologous end-joining.
DNA Repair (Amst), 136, 2024
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7SCD
 | | Ternary complex of fixed-arm Trx-3ost5 (I299E) with 8mer-1 octasaccharide substrate and co-factor product PAP | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, ADENOSINE-3'-5'-DIPHOSPHATE, Thioredoxin 1,Heparan sulfate glucosamine 3-O-sulfotransferase 5 | | Authors: | Wander, R, Kaminski, A.M, Krahn, J.M, Liu, J, Pedersen, L.C. | | Deposit date: | 2021-09-27 | | Release date: | 2022-01-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural and Substrate Specificity Analysis of 3-O-Sulfotransferase Isoform 5 to Synthesize Heparan Sulfate
Acs Catalysis, 11, 2021
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7S97
 | | Structure of the Photoacclimated Light Harvesting Complex PC577 from Hemiselmis pacifica | | Descriptor: | 15,16-DIHYDROBILIVERDIN, PHYCOCYANOBILIN, Phycoerythrin alpha subunit 1, ... | | Authors: | Jeffrey, P.D, Spangler, L.C, Scholes, G.D. | | Deposit date: | 2021-09-20 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Controllable Phycobilin Modification: An Alternative Photoacclimation Response in Cryptophyte Algae.
Acs Cent.Sci., 8, 2022
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7S96
 | | Structure of the Light Harvesting Complex PC577 from Hemiselmis pacifica | | Descriptor: | 15,16-DIHYDROBILIVERDIN, PHYCOCYANOBILIN, Phycoerythrin alpha subunit 1, ... | | Authors: | Jeffrey, P.D, Spangler, L.C, Scholes, G.D. | | Deposit date: | 2021-09-20 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Controllable Phycobilin Modification: An Alternative Photoacclimation Response in Cryptophyte Algae.
Acs Cent.Sci., 8, 2022
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7SCE
 | | Ternary complex of fixed-arm Trx-3ost5 (I299E) with 8mer-2 octasaccharide substrate and co-factor product PAP | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, ADENOSINE-3'-5'-DIPHOSPHATE, Thioredoxin 1,Heparan sulfate glucosamine 3-O-sulfotransferase 5 | | Authors: | Wander, R, Kaminski, A.M, Krahn, J.M, Liu, J, Pedersen, L.C. | | Deposit date: | 2021-09-27 | | Release date: | 2022-01-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural and Substrate Specificity Analysis of 3-O-Sulfotransferase Isoform 5 to Synthesize Heparan Sulfate
Acs Catalysis, 11, 2021
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7BBD
 | | Crystal structure of monoubiquitinated TRIM21 RING (Ub-RING) In complex with ubiquitin charged Ube2N (Ube2N~Ub) and Ube2V2 | | Descriptor: | Polyubiquitin-B,E3 ubiquitin-protein ligase TRIM21, Polyubiquitin-C, Ubiquitin-conjugating enzyme E2 N, ... | | Authors: | Kiss, L, Neuhaus, D, James, L.C. | | Deposit date: | 2020-12-17 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | RING domains act as both substrate and enzyme in a catalytic arrangement to drive self-anchored ubiquitination.
Nat Commun, 12, 2021
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7BBF
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7A06
 | | Structure of human CKa1 in complex with compound o | | Descriptor: | 1,2-ETHANEDIOL, 1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine, Choline kinase alpha | | Authors: | Serran-Aguilera, L, Mariotto, E, Rubbini, G, Castro Navas, F.C, Marco, C, Carrasco-Jimenez, M.P, Ballarotto, M, Macchiarulo, A, Hurtado-Guerrero, R, Viola, G, Lopez-Cara, L.C. | | Deposit date: | 2020-08-06 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthesis, biological evaluation, in silico modeling and crystallization of novel small monocationic molecules with potent antiproliferative activity by dual mechanism.
Eur.J.Med.Chem., 207, 2020
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7BH8
 | | 3H4-Fab HLA-E-VL9 co-complex | | Descriptor: | 3H4 Fab heavy chain, 3H4 Fab light chain, Beta-2-microglobulin, ... | | Authors: | Walters, L.C, Rozbesky, D. | | Deposit date: | 2021-01-10 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mouse and human antibodies bind HLA-E-leader peptide complexes and enhance NK cell cytotoxicity.
Commun Biol, 5, 2022
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2LZT
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