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PDB: 5628 results

8GKT
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Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF320 inhibitor
Descriptor: N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{5-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]thiophene-2-carbonyl}-L-glutamic acid, Serine hydroxymethyltransferase, ...
Authors:Katinas, J.M, Dann III, C.E.
Deposit date:2023-03-20
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
8GKU
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Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF355 inhibitor
Descriptor: GLYCINE, N-{4-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]-2-fluorobenzoyl}-D-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Katinas, J.M, Dann III, C.E.
Deposit date:2023-03-20
Release date:2024-03-20
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
7UCR
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Joint X-ray/neutron structure of the Sarcin-Ricin loop RNA
Descriptor: SULFATE ION, Sarcin-Ricin loop RNA
Authors:Harp, J.M, Egli, M.E, Pallan, P.S, Coates, L.
Deposit date:2022-03-17
Release date:2022-07-20
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1 Å), X-RAY DIFFRACTION
Cite:Cryo neutron crystallography demonstrates influence of RNA 2'-OH orientation on conformation, sugar pucker and water structure.
Nucleic Acids Res., 50, 2022
8GKW
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BU of 8gkw by Molmil
Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF359 inhibitor
Descriptor: GLYCINE, N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]-2-fluorobenzoyl}-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Katinas, J.M, Dann III, C.E.
Deposit date:2023-03-20
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
5FEP
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BU of 5fep by Molmil
HydE from T. maritima in complex with (2R,4R)-MeTDA
Descriptor: (2R,4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ...
Authors:Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y.
Deposit date:2015-12-17
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
7UKS
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BU of 7uks by Molmil
Crystal structure of SOS1 with phthalazine inhibitor bound (compound 15)
Descriptor: 4-methyl-N-{(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}-7-(piperazin-1-yl)phthalazin-1-amine, Son of sevenless homolog 1
Authors:Gunn, R.J, Lawson, J.D, Ketcham, J.M, Marx, M.A.
Deposit date:2022-04-01
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Design and Discovery of MRTX0902, a Potent, Selective, Brain-Penetrant, and Orally Bioavailable Inhibitor of the SOS1:KRAS Protein-Protein Interaction.
J.Med.Chem., 65, 2022
7UKR
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Crystal Structure of SOS1 with MRTX0902, a Potent and Selective Inhibitor of the SOS1:KRAS Protein-Protein Interaction
Descriptor: 2-methyl-3-[(1R)-1-{[4-methyl-7-(morpholin-4-yl)pyrido[3,4-d]pyridazin-1-yl]amino}ethyl]benzonitrile, Son of sevenless homolog 1
Authors:Gunn, R.J, Lawson, J.D, Ketcham, J.M, Marx, M.A.
Deposit date:2022-04-01
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design and Discovery of MRTX0902, a Potent, Selective, Brain-Penetrant, and Orally Bioavailable Inhibitor of the SOS1:KRAS Protein-Protein Interaction.
J.Med.Chem., 65, 2022
5FQJ
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BU of 5fqj by Molmil
W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase bound to 5(6)-nitrobenzotriazole (TS-analog)
Descriptor: 6-NITROBENZOTRIAZOLE, GNCA LACTAMASE W229D
Authors:Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M.
Deposit date:2015-12-11
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.271 Å)
Cite:De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
5FQI
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W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A
Descriptor: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M.
Deposit date:2015-12-11
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
6RS0
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BU of 6rs0 by Molmil
GOLGI ALPHA-MANNOSIDASE II in complex with (2S,3S,4R,5R)-1-(2-(Benzyloxy)ethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
Descriptor: (2~{S},3~{S},4~{R})-2-(hydroxymethyl)-1-(2-phenylmethoxyethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ...
Authors:Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
Deposit date:2019-05-20
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
7T8Z
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BU of 7t8z by Molmil
Structure of Class A sortase from Streptococcus pyogenes bound to lipid II mimetic, LPATA: Thr-out conformation
Descriptor: ACE-ALA-ZGL-LYS-DAL-DAL, BE2-LEU-PRO-ALA-THR-ALA-ALA, Sortase
Authors:Piper, I.M, Antos, J.M, Amacher, J.F.
Deposit date:2021-12-17
Release date:2022-09-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of Streptococcus pyogenes class A sortase in complex with substrate and product mimics provide key details of target recognition.
J.Biol.Chem., 298, 2022
5FCC
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BU of 5fcc by Molmil
Structure of HutD from Pseudomonas fluorescens SBW25 (NaCl condition)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, HutD, ...
Authors:Johnston, J.M, Gerth, M.L, Baker, E.N, Lott, J.S, Rainey, P.B.
Deposit date:2015-12-15
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure of HutD from Pseudomonas fluorescens
To Be Published
7SZ2
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BU of 7sz2 by Molmil
Mouse PARP13/ZAP ZnF5-WWE1-WWE2 bound to ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, PHOSPHATE ION, ...
Authors:Ayanath Kuttiyatveetil, J.R, Pascal, J.M.
Deposit date:2021-11-25
Release date:2022-10-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures and functional analysis of the ZnF5-WWE1-WWE2 region of PARP13/ZAP define a distinctive mode of engaging poly(ADP-ribose).
Cell Rep, 41, 2022
5FFF
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BU of 5fff by Molmil
Noroxomaritidine/Norcraugsodine Reductase in complex with NADP+ and piperonal
Descriptor: 1,3-benzodioxole-5-carbaldehyde, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Noroxomaritidine/Norcraugsodine Reductase
Authors:Jez, J.M, Holland, C.K.
Deposit date:2015-12-18
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Identification of a Noroxomaritidine Reductase with Amaryllidaceae Alkaloid Biosynthesis Related Activities.
J.Biol.Chem., 291, 2016
5FES
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BU of 5fes by Molmil
HydE from T. maritima in complex with (2R,4R)-MeSeTDA
Descriptor: (2~{R},4~{R})-2-methyl-1,3-selenazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ...
Authors:Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y.
Deposit date:2015-12-17
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
5FF2
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BU of 5ff2 by Molmil
HydE from T. maritima in complex with (2R,4R)-TDA
Descriptor: (2~{R},4~{R})-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ...
Authors:Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y.
Deposit date:2015-12-17
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
5FGW
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BU of 5fgw by Molmil
Structure of Sda1 nuclease with bound zinc ion
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Moon, A.F, Krahn, J.M, Xun, L, Cuneo, M.J, Pedersen, L.C.
Deposit date:2015-12-21
Release date:2016-03-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural characterization of the virulence factor Sda1 nuclease from Streptococcus pyogenes.
Nucleic Acids Res., 44, 2016
7SZ3
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BU of 7sz3 by Molmil
Mouse PARP13/ZAP ZnF5-WWE1-WWE2 bound to ADPr
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, GLYCEROL, PHOSPHATE ION, ...
Authors:Ayanath Kuttiyatveetil, J.R, Pascal, J.M.
Deposit date:2021-11-25
Release date:2022-10-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures and functional analysis of the ZnF5-WWE1-WWE2 region of PARP13/ZAP define a distinctive mode of engaging poly(ADP-ribose).
Cell Rep, 41, 2022
5FOJ
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BU of 5foj by Molmil
Cryo electron microscopy structure of Grapevine Fanleaf Virus complex with Nanobody
Descriptor: Nanobody, RNA2 polyprotein
Authors:Orlov, I, Hemmer, C, Ackerer, L, Lorber, B, Ghannam, A, Poignavent, V, Hleibieh, K, Sauter, C, Schmitt-Keichinger, C, Belval, L, Hily, J.M, Marmonier, A, Komar, V, Gersch, S, Schellenberger, P, Bron, P, Vigne, E, Muyldermans, S, Lemaire, O, Demangeat, G, Ritzenthaler, C, Klaholz, B.P.
Deposit date:2015-11-22
Release date:2016-01-20
Last modified:2021-08-11
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis of nanobody recognition of grapevine fanleaf virus and of virus resistance loss.
Proc.Natl.Acad.Sci.USA, 2020
5HOO
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BU of 5hoo by Molmil
Crystal structure of the Mos1 Strand Transfer Complex
Descriptor: MAGNESIUM ION, Mariner Mos1 transposase, Mos1 IR DNA NTS, ...
Authors:Richardson, J.M, Morris, E.R.
Deposit date:2016-01-19
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A bend, flip and trap mechanism for transposon integration.
Elife, 5, 2016
7UGW
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BU of 7ugw by Molmil
M. tuberculosis DNA gyrase cleavage core bound to DNA and evybactin
Descriptor: DNA (46-MER), DNA gyrase subunit A, DNA gyrase subunit B, ...
Authors:Hauk, G, Imai, Y, Lewis, K, Berger, J.M.
Deposit date:2022-03-25
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Evybactin is a DNA gyrase inhibitor that selectively kills Mycobacterium tuberculosis.
Nat.Chem.Biol., 18, 2022
5FEW
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BU of 5few by Molmil
HydE from T. maritima in complex with S-adenosyl-L-cysteine (final product)
Descriptor: (2R,4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ...
Authors:Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y.
Deposit date:2015-12-17
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
5FF3
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BU of 5ff3 by Molmil
HydE from T. maritima in complex with 4R-TCA
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y.
Deposit date:2015-12-17
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
5FLM
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BU of 5flm by Molmil
Structure of transcribing mammalian RNA polymerase II
Descriptor: DNA, DNA-RNA ELONGATION SCAFFOLD, DNA-DIRECTED RNA POLYMERASE, ...
Authors:Bernecky, C, Herzog, F, Baumeister, W, Plitzko, J.M, Cramer, P.
Deposit date:2015-10-26
Release date:2016-01-20
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of Transcribing Mammalian RNA Polymerase II
Nature, 529, 2016
5FEU
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BU of 5feu by Molmil
Noroxomaritidine/Norcraugsodine Reductase in complex with NADP+
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Noroxomaritidine/Norcraugsodine Reductase
Authors:Holland, C, Jez, J.M.
Deposit date:2015-12-17
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Identification of a Noroxomaritidine Reductase with Amaryllidaceae Alkaloid Biosynthesis Related Activities.
J.Biol.Chem., 291, 2016

224201

数据于2024-08-28公开中

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