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8BJ2
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BU of 8bj2 by Molmil
Crystal structure of Medicago truncatula histidinol-phosphate aminotransferase (HISN6) in the closed state
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, SODIUM ION, ...
Authors:Rutkiewicz, M, Ruszkowski, M.
Deposit date:2022-11-03
Release date:2023-03-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Insights into the substrate specificity, structure, and dynamics of plant histidinol-phosphate aminotransferase (HISN6).
Plant Physiol Biochem., 196, 2023
8BJ3
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BU of 8bj3 by Molmil
Crystal structure of Medicago truncatula histidinol-phosphate aminotransferase (HISN6) in complex with histidinol-phosphate
Descriptor: 1,2-ETHANEDIOL, SODIUM ION, [(2~{S})-3-(1~{H}-imidazol-4-yl)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propyl] dihydrogen phosphate, ...
Authors:Rutkiewicz, M, Ruszkowski, M.
Deposit date:2022-11-03
Release date:2023-03-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Insights into the substrate specificity, structure, and dynamics of plant histidinol-phosphate aminotransferase (HISN6).
Plant Physiol Biochem., 196, 2023
6SFR
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SOS1 in Complex with Inhibitor BI-68BS
Descriptor: 6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine, IMIDAZOLE, Son of sevenless homolog 1
Authors:Kessler, D, Fischer, G, Ramharter, J.
Deposit date:2019-08-02
Release date:2020-08-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.917 Å)
Cite:BI-3406, a Potent and Selective SOS1-KRAS Interaction Inhibitor, Is Effective in KRAS-Driven Cancers through Combined MEK Inhibition.
Cancer Discov, 11, 2021
6SCM
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BU of 6scm by Molmil
SOS1 in Complex with Inhibitor BI-3406
Descriptor: 1,2-ETHANEDIOL, IMIDAZOLE, Son of sevenless homolog 1, ...
Authors:Kessler, D, Fischer, G, Ramharter, J.
Deposit date:2019-07-24
Release date:2020-08-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.866 Å)
Cite:BI-3406, a Potent and Selective SOS1-KRAS Interaction Inhibitor, Is Effective in KRAS-Driven Cancers through Combined MEK Inhibition.
Cancer Discov, 11, 2021
6SMW
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BU of 6smw by Molmil
A. thaliana serine hydroxymethyltransferase isoform 2 (AtSHMT2) in complex with pemetrexed
Descriptor: 1,2-ETHANEDIOL, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Ruszkowski, M, Sekula, B, Dauter, Z.
Deposit date:2019-08-23
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural basis of methotrexate and pemetrexed action on serine hydroxymethyltransferases revealed using plant models.
Sci Rep, 9, 2019
6SMN
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A. thaliana serine hydroxymethyltransferase isoform 2 (AtSHMT2) in complex with methotrexate
Descriptor: 1,2-ETHANEDIOL, METHOTREXATE, SERINE, ...
Authors:Ruszkowski, M, Sekula, B, Dauter, Z.
Deposit date:2019-08-22
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural basis of methotrexate and pemetrexed action on serine hydroxymethyltransferases revealed using plant models.
Sci Rep, 9, 2019
8VWR
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BU of 8vwr by Molmil
Structure of steroid hydratase from Comamonas testosteroni
Descriptor: Acyl dehydratase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Schroeter, K.L, Forrester, T.J.B, Kimber, M.S, Seah, S.Y.K.
Deposit date:2024-02-02
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Shy is a Proteobacterial steroid hydratase which catalyzes steroid side chain degradation without requiring a catalytically inert partner domain.
J.Biol.Chem., 2024
1G9U
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BU of 1g9u by Molmil
CRYSTAL STRUCTURE OF YOPM-LEUCINE RICH EFFECTOR PROTEIN FROM YERSINIA PESTIS
Descriptor: ACETATE ION, CALCIUM ION, MERCURY (II) ION, ...
Authors:Evdokimov, A.G, Anderson, D.E, Routzahn, K.M, Waugh, D.S.
Deposit date:2000-11-28
Release date:2001-10-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Unusual molecular architecture of the Yersinia pestis cytotoxin YopM: a leucine-rich repeat protein with the shortest repeating unit.
J.Mol.Biol., 312, 2001
6SMR
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BU of 6smr by Molmil
A. thaliana serine hydroxymethyltransferase isoform 4 (AtSHMT4) in complex with methotrexate
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, METHOTREXATE, ...
Authors:Ruszkowski, M, Sekula, B, Dauter, Z.
Deposit date:2019-08-22
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural basis of methotrexate and pemetrexed action on serine hydroxymethyltransferases revealed using plant models.
Sci Rep, 9, 2019
6RNK
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BU of 6rnk by Molmil
Crystal structure of a humanized (K18E, K269N) rat succinate receptor SUCNR1 (GPR91) in complex with a nanobody and antagonist NF-56-EJ40.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]carbonylamino]phenyl]ethanoic acid, GLYCEROL, ...
Authors:Haffke, M, Jaakola, V.-P.
Deposit date:2019-05-08
Release date:2019-08-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural basis of species-selective antagonist binding to the succinate receptor.
Nature, 574, 2019
3GTU
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BU of 3gtu by Molmil
LIGAND-FREE HETERODIMERIC HUMAN GLUTATHIONE S-TRANSFERASE M2-3 (EC 2.5.1.18), MONOCLINIC CRYSTAL FORM
Descriptor: GLUTATHIONE S-TRANSFERASE
Authors:Patskovsky, Y.V, Patskovska, L.N, Listowsky, I.
Deposit date:1998-07-29
Release date:1999-07-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:An asparagine-phenylalanine substitution accounts for catalytic differences between hGSTM3-3 and other human class mu glutathione S-transferases.
Biochemistry, 38, 1999
5UGI
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BU of 5ugi by Molmil
Crystal Structure of Ketosteroid Isomerase D38GF54A mutant from Pseudomonas Testosteroni (tKSI) bound to Equilenin
Descriptor: EQUILENIN, Steroid Delta-isomerase
Authors:Yabukarski, F, Lamba, V, Herschlag, D.
Deposit date:2017-01-08
Release date:2017-11-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An Activator-Blocker Pair Provides a Controllable On-Off Switch for a Ketosteroid Isomerase Active Site Mutant.
J. Am. Chem. Soc., 139, 2017
7KL7
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BU of 7kl7 by Molmil
Helicobacter pylori Xanthine-Guanine-Hypoxanthine Phosphoribosyltransferase
Descriptor: Phosphoribosyltransferase, SULFATE ION
Authors:Guddat, L.W, Keough, D.T.
Deposit date:2020-10-29
Release date:2021-05-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Helicobacter pylori Xanthine-Guanine-Hypoxanthine Phosphoribosyltransferase-A Putative Target for Drug Discovery against Gastrointestinal Tract Infections.
J.Med.Chem., 64, 2021
7KL6
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BU of 7kl6 by Molmil
Helicobacter pylori Xanthine-Guanine-Hypoxanthine Phosphoribosyltransferase
Descriptor: (3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl)phosphonic acid, Phosphoribosyltransferase, SULFATE ION
Authors:Guddat, L.W, Keough, D.T.
Deposit date:2020-10-29
Release date:2021-05-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Helicobacter pylori Xanthine-Guanine-Hypoxanthine Phosphoribosyltransferase-A Putative Target for Drug Discovery against Gastrointestinal Tract Infections.
J.Med.Chem., 64, 2021
5T35
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BU of 5t35 by Molmil
The PROTAC MZ1 in complex with the second bromodomain of Brd4 and pVHL:ElonginC:ElonginB
Descriptor: (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Transcription elongation factor B polypeptide 1, ...
Authors:Gadd, M.S, Zengerle, M, Ciulli, A.
Deposit date:2016-08-24
Release date:2017-03-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of PROTAC cooperative recognition for selective protein degradation.
Nat. Chem. Biol., 13, 2017
5O39
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BU of 5o39 by Molmil
Human Brd2(BD2) mutant in complex with ME
Descriptor: (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ...
Authors:Runcie, A.C, Chan, K.-H, Ciulli, A.
Deposit date:2017-05-23
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
5O3F
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BU of 5o3f by Molmil
Human Brd2(BD2) mutant in complex with ET-Am1
Descriptor: (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-butanamide, (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, ...
Authors:Runcie, A.C, Chan, K.-H, Ciulli, A.
Deposit date:2017-05-23
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
5O3D
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BU of 5o3d by Molmil
Human Brd2(BD2) mutant in complex with 9-ET
Descriptor: (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ...
Authors:Chan, K.-H, Runcie, A.C, Ciulli, A.
Deposit date:2017-05-23
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
5O3A
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BU of 5o3a by Molmil
Human Brd2(BD2) mutant in complex with ET
Descriptor: Bromodomain-containing protein 2, methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate
Authors:Chan, K.-H, Runcie, A.C, Ciulli, A.
Deposit date:2017-05-23
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
5O3E
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BU of 5o3e by Molmil
Human Brd2(BD2) mutant in complex with Me-Am1
Descriptor: (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-propanamide, (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, ...
Authors:Chan, K.-H, Runcie, A.C, Ciulli, A.
Deposit date:2017-05-23
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
5O3B
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BU of 5o3b by Molmil
Human Brd2(BD2) mutant in complex with AL
Descriptor: Bromodomain-containing protein 2, methyl (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]pent-4-enoate
Authors:Runcie, A.C, Chan, K.-H, Ciulli, A.
Deposit date:2017-05-23
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
5O3G
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BU of 5o3g by Molmil
Human Brd2(BD2) mutant in complex with AL-Am1
Descriptor: (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-pent-4-enamide, Bromodomain-containing protein 2
Authors:Chan, K.-H, Runcie, A.C, Ciulli, A.
Deposit date:2017-05-23
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
6FL5
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BU of 6fl5 by Molmil
Structure of human SHMT1-H135N-R137A-E168N mutant at 3.6 Ang. resolution
Descriptor: CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Serine hydroxymethyltransferase, ...
Authors:Giardina, G, Cutruzzola, F, Lucchi, R.
Deposit date:2018-01-25
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:The catalytic activity of serine hydroxymethyltransferase is essential for de novo nuclear dTMP synthesis in lung cancer cells.
FEBS J., 285, 2018
6FLL
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BU of 6fll by Molmil
SPECTROSCOPIC AND STRUCTURAL STUDY OF QW, A EGFP MUTANT SHOWING PHOTOSWITCHING PROPERTIES
Descriptor: Green fluorescent protein
Authors:Garau, G, Margheritis, E.
Deposit date:2018-01-26
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Role of Gln222 in Photoswitching of Aequorea Fluorescent Proteins: A Twisting and H-Bonding Affair?
Acs Chem.Biol., 13, 2018
5O3H
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BU of 5o3h by Molmil
Human Brd2(BD2) mutant in complex with 9-ME-Am1
Descriptor: (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-propanamide, (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, ...
Authors:Chan, K.-H, Runcie, A.C, Ciulli, A.
Deposit date:2017-05-23
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018

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