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6BXK
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BU of 6bxk by Molmil
Crystal structure of Pyrococcus horikoshii Dph2 with 4Fe-4S cluster and MTA
Descriptor: 2-(3-amino-3-carboxypropyl)histidine synthase, 5'-DEOXY-5'-METHYLTHIOADENOSINE, IRON/SULFUR CLUSTER, ...
Authors:Torelli, A.T, Fenwick, M.K, Zhang, Y, Dong, M, Kathiresan, V, Carantoa, J.D, Dzikovski, B, Lancaster, K.M, Freed, J.H, Hoffman, B.M, Lin, H, Ealick, S.E.
Deposit date:2017-12-18
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.347 Å)
Cite:Organometallic and radical intermediates reveal mechanism of diphthamide biosynthesis.
Science, 359, 2018
6BXO
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BU of 6bxo by Molmil
Crystal structure of Candidatus Methanoperedens nitroreducens Dph2 with 4Fe-4S cluster and SAH
Descriptor: Diphthamide biosynthesis enzyme Dph2, IRON/SULFUR CLUSTER, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Fenwick, M.K, Torelli, A.T, Zhang, Y, Dong, M, Kathiresan, V, Carantoa, J.D, Dzikovski, B, Lancaster, K.M, Freed, J.H, Hoffman, B.M, Lin, H, Ealick, S.E.
Deposit date:2017-12-18
Release date:2018-04-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.655 Å)
Cite:Organometallic and radical intermediates reveal mechanism of diphthamide biosynthesis.
Science, 359, 2018
8RZX
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BU of 8rzx by Molmil
Solution structure of a parallel stranded G-quadruplex formed in ORAI1 promoter
Descriptor: DNA (5'-D(*TP*GP*GP*GP*CP*GP*GP*GP*GP*CP*AP*CP*AP*GP*GP*TP*GP*GP*GP*CP*GP*GP*GP*G)-3')
Authors:Jana, J, Weisz, K.
Deposit date:2024-02-13
Release date:2024-08-21
Last modified:2024-09-11
Method:SOLUTION NMR
Cite:Remodeling Ca 2+ dynamics by targeting a promising E-box containing G-quadruplex at ORAI1 promoter in triple-negative breast cancer.
Cell Calcium, 123, 2024
8T4P
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BU of 8t4p by Molmil
Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and di-glutamate AGF347 inhibitor
Descriptor: N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-gamma-glutamyl-L-glutamic acid, Serine hydroxymethyltransferase, ...
Authors:Katinas, J.M, Dann III, C.E.
Deposit date:2023-06-09
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
8T4O
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BU of 8t4o by Molmil
Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF347 inhibitor with no glutamate
Descriptor: 4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoic acid, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], Serine hydroxymethyltransferase, ...
Authors:Katinas, J.M, Dann III, C.E.
Deposit date:2023-06-09
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
8TLC
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BU of 8tlc by Molmil
Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and tri-glutamate AGF347 inhibitor
Descriptor: N-{4-[4-(2-amino-4-oxo-1,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-D-gamma-glutamyl-L-gamma-glutamyl-D-glutamic acid, Serine hydroxymethyltransferase, mitochondrial
Authors:Katinas, J.M, Dann III, C.E.
Deposit date:2023-07-26
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
4JLH
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BU of 4jlh by Molmil
HIV-1 Integrase Catalytic Core Domain A128T Mutant Complexed with Allosteric Inhibitor
Descriptor: (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid, HIV-1 Integrase catalytic core domain, SULFATE ION
Authors:Feng, L, Kvaratskhelia, M.
Deposit date:2013-03-12
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The A128T Resistance Mutation Reveals Aberrant Protein Multimerization as the Primary Mechanism of Action of Allosteric HIV-1 Integrase Inhibitors.
J.Biol.Chem., 288, 2013
5Y97
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BU of 5y97 by Molmil
Crystal structure of snake gourd seed lectin in complex with lactose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Seed lectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Chandran, T, Vijayan, M, Sivaji, N, Surolia, A.
Deposit date:2017-08-23
Release date:2018-08-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Ligand binding and retention in snake gourd seed lectin (SGSL). A crystallographic, thermodynamic and molecular dynamics study
Glycobiology, 28, 2018
4Z1R
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BU of 4z1r by Molmil
Crystal structure of collagen-like peptide at 1.27 Angstrom resolution
Descriptor: Collagen-like peptide
Authors:Plonska-Brzezinska, M.E, Czyrko, J, Brus, D.M, Imierska, M, Brzezinski, K.
Deposit date:2015-03-27
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Triple helical collagen-like peptide interactions with selected polyphenolic compounds.
Rsc Adv, 5, 2015
5DM4
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BU of 5dm4 by Molmil
Crystal structure of the plantazolicin methyltransferase BpumL in complex with pentazolic desmethylPZN analog and SAH
Descriptor: 1-[(4S)-4-(4-{4-[4-(5,5'-dimethyl-2,4'-bi-1,3-oxazol-2'-yl)-1,3-thiazol-2-yl]-5-methyl-1,3-oxazol-2-yl}-1,3-thiazol-2-yl)-4-(methylamino)butyl]guanidine, GLYCEROL, Methyltransferase domain family, ...
Authors:Hao, Y, Nair, S.K.
Deposit date:2015-09-07
Release date:2015-09-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Insights into methyltransferase specificity and bioactivity of derivatives of the antibiotic plantazolicin.
Acs Chem.Biol., 10, 2015
2M9U
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BU of 2m9u by Molmil
Solution NMR structure of the C-terminal domain (CTD) of Moloney murine leukemia virus integrase, Northeast Structural Genomics Target OR41A
Descriptor: Integrase p46
Authors:Aiyer, S, Rossi, P, Schneider, W.M, Chander, A, Roth, M.J, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-06-19
Release date:2013-12-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Altering murine leukemia virus integration through disruption of the integrase and BET protein family interaction.
Nucleic Acids Res., 42, 2014
5Y42
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BU of 5y42 by Molmil
Native-crystal structure of three chain non-toxic type II ribosome inactivating protein purified from the seeds of Trichosanthes anguina
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lectin, Seed lectin
Authors:Chandran, T, Vijayan, M.
Deposit date:2017-07-31
Release date:2018-08-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Ligand binding and retention in snake gourd seed lectin (SGSL). A crystallographic, thermodynamic and molecular dynamics study.
Glycobiology, 28, 2018
5DLY
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BU of 5dly by Molmil
Crystal structure of the plantazolicin methyltransferase BamL in complex with monoazolic desmethylPZN analog and SAH
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, plantazolicin methyltransferase BamL, prop-2-en-1-yl 2-[(1S)-1-amino-4-carbamimidamidobutyl]-1,3-thiazole-4-carboxylate
Authors:Hao, Y, Nair, S.K.
Deposit date:2015-09-07
Release date:2015-09-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Insights into methyltransferase specificity and bioactivity of derivatives of the antibiotic plantazolicin.
ACS Chem. Biol., 10, 2015
5DM1
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BU of 5dm1 by Molmil
Crystal structure of the plantazolicin methyltransferase BpumL in complex with monoazolic desmethylPZN analog and SAH
Descriptor: GLYCEROL, Methyltransferase domain family, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Hao, Y, Nair, S.K.
Deposit date:2015-09-07
Release date:2015-09-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insights into methyltransferase specificity and bioactivity of derivatives of the antibiotic plantazolicin.
Acs Chem.Biol., 10, 2015
5DM0
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BU of 5dm0 by Molmil
Crystal structure of the plantazolicin methyltransferase BamL in complex with triazolic desmethylPZN analog and SAH
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ethyl 2-(2-{2-[(1S)-1-amino-4-carbamimidamidobutyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate, ...
Authors:Hao, Y, Nair, S.K.
Deposit date:2015-09-07
Release date:2015-09-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Insights into methyltransferase specificity and bioactivity of derivatives of the antibiotic plantazolicin.
Acs Chem.Biol., 10, 2015
5DM2
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BU of 5dm2 by Molmil
Crystal structure of the plantazolicin methyltransferase BpumL in complex with triazolic desmethylPZN analog and SAH
Descriptor: GLYCEROL, Methyltransferase domain family, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Hao, Y, Nair, S.K.
Deposit date:2015-09-07
Release date:2015-09-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Insights into methyltransferase specificity and bioactivity of derivatives of the antibiotic plantazolicin.
Acs Chem.Biol., 10, 2015
3Q9A
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BU of 3q9a by Molmil
Structure of neuronal nitric oxide synthase in the ferric state in complex with N-5-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ...
Authors:Li, H, Doukov, T, Poulos, T.L.
Deposit date:2011-01-07
Release date:2011-05-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Temperature-dependent spin crossover in neuronal nitric oxide synthase bound with the heme-coordinating thioether inhibitors.
J.Am.Chem.Soc., 133, 2011
3Q99
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BU of 3q99 by Molmil
Structure of neuronal nitric oxide synthase in the ferric state in complex with N~5~-[(3-(ethylsulfanyl)propanimidoyl]-L-ornithine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ...
Authors:Li, H, Doukov, T, Poulos, T.L.
Deposit date:2011-01-07
Release date:2011-05-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Temperature-dependent spin crossover in neuronal nitric oxide synthase bound with the heme-coordinating thioether inhibitors.
J.Am.Chem.Soc., 133, 2011
2BD1
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BU of 2bd1 by Molmil
A possible role of the second calcium ion in interfacial binding: Atomic and medium resolution crystal structures of the quadruple mutant of phospholipase A2
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Phospholipase A2
Authors:Sekar, K, Velmurugan, D, Tsai, M.D.
Deposit date:2005-10-19
Release date:2006-07-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Suggestive evidence for the involvement of the second calcium and surface loop in interfacial binding: monoclinic and trigonal crystal structures of a quadruple mutant of phospholipase A(2).
Acta Crystallogr.,Sect.D, 62, 2006
2BCH
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BU of 2bch by Molmil
A possible of Second calcium ion in interfacial binding: Atomic and Medium resolution crystal structures of the quadruple mutant of phospholipase A2
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Sekar, K, Yogavel, M, Velmurugan, D, Poi, M.J, Dauter, Z, Tsai, M.D.
Deposit date:2005-10-19
Release date:2006-07-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Suggestive evidence for the involvement of the second calcium and surface loop in interfacial binding: monoclinic and trigonal crystal structures of a quadruple mutant of phospholipase A(2).
Acta Crystallogr.,Sect.D, 62, 2006

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