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7OVZ
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BU of 7ovz by Molmil
SOLUTION NMR STRUCTURE OF MAXIMIN 1 IN 50% TRIFLUOROETHANOL
Descriptor: Maximin-1
Authors:Timmons, P.B, Hewage, C.M.
Deposit date:2021-06-15
Release date:2021-10-13
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Biophysical study of the structure and dynamics of the antimicrobial peptide maximin 1.
J.Pept.Sci., 28, 2022
1NZE
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BU of 1nze by Molmil
Crystal structure of PsbQ polypeptide of photosystem II from higher plants
Descriptor: Oxygen-evolving enhancer protein 3, ZINC ION
Authors:Calderone, V, Trabucco, M, Vujicic, A, Battistutta, R, Giacometti, G.M, Andreucci, F, Barbato, R, Zanotti, G.
Deposit date:2003-02-17
Release date:2003-08-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the PsbQ protein of photosystem II from higher plants
Embo Rep., 4, 2003
6FNT
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BU of 6fnt by Molmil
Ergothioneine-biosynthetic methyltransferase EgtD in complex with pyrrolidinohistidine
Descriptor: Histidine N-alpha-methyltransferase, Pyrrolidinohistidine
Authors:Vit, A, Blankenfeldt, W, Seebeck, F.P.
Deposit date:2018-02-05
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibition and Regulation of the Ergothioneine Biosynthetic Methyltransferase EgtD.
ACS Chem. Biol., 13, 2018
6R5V
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BU of 6r5v by Molmil
The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with xylotriose
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ...
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2019-03-25
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
6R5O
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BU of 6r5o by Molmil
The crystal structure the Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with two glucose molecules
Descriptor: MAGNESIUM ION, Periplasmic beta-glucosidase, beta-D-glucopyranose
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2019-03-25
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
5LRM
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BU of 5lrm by Molmil
Structure of di-zinc MCR-1 in P41212 space group
Descriptor: GLYCEROL, ZINC ION, phosphatidylethanolamine transferase Mcr-1
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2016-08-19
Release date:2016-12-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1.
Sci Rep, 7, 2017
5LRN
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BU of 5lrn by Molmil
Structure of mono-zinc MCR-1 in P21 space group
Descriptor: GLYCEROL, Phosphatidylethanolamine transferase Mcr-1, ZINC ION
Authors:Hinchliffe, P, Paterson, N.G, Spencer, J.
Deposit date:2016-08-19
Release date:2016-12-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1.
Sci Rep, 7, 2017
8C0P
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BU of 8c0p by Molmil
Crystal structure of S. aureus BlaR1 sensor domain in complex with a boronate inhibitor
Descriptor: Regulatory protein BlaR1, [1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
Authors:Miguel-Ruano, V, Jimenez-Faraco, E, Hermoso, J.A.
Deposit date:2022-12-19
Release date:2024-07-10
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Restoring susceptibility to beta-lactam antibiotics in methicillin-resistant Staphylococcus aureus.
Nat.Chem.Biol., 2024
8C0S
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BU of 8c0s by Molmil
Crystal structure of S. aureus BlaR1 sensor domain in complex with an imidazole inhibitor
Descriptor: 3-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-(hydroxymethyl)-1~{H}-imidazole-2-thione, Regulatory protein BlaR1
Authors:Miguel-Ruano, V, Hermoso, J.A.
Deposit date:2022-12-19
Release date:2024-07-10
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Restoring susceptibility to beta-lactam antibiotics in methicillin-resistant Staphylococcus aureus.
Nat.Chem.Biol., 2024
8CF3
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BU of 8cf3 by Molmil
Crystal structure of S. aureus BlaR1 sensor domain in complex with cefepime
Descriptor: Cefepime (open), Regulatory protein BlaR1
Authors:Miguel-Ruano, V, Hermoso, J.A.
Deposit date:2023-02-02
Release date:2024-09-04
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Restoring susceptibility to beta-lactam antibiotics in methicillin-resistant Staphylococcus aureus.
Nat.Chem.Biol., 2024
6YMV
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BU of 6ymv by Molmil
Cryo-EM structure of yeast mitochondrial RNA polymerase partially-melted transcription initiation complex (PmIC)
Descriptor: DNA (33-MER) NON-TEMPLATE, DNA (33-MER) template, DNA-directed RNA polymerase, ...
Authors:Das, K, Patel, S.S.
Deposit date:2020-04-10
Release date:2020-12-02
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM Structures Reveal Transcription Initiation Steps by Yeast Mitochondrial RNA Polymerase.
Mol.Cell, 81, 2021
8C0F
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BU of 8c0f by Molmil
Tubulin-PTC596 complex
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-fluoranyl-2-(6-fluoranyl-2-methyl-benzimidazol-1-yl)-~{N}4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine, ...
Authors:Prota, A.E, Muehlethaler, T, Weetall, M, Steinmetz, M.O.
Deposit date:2022-12-16
Release date:2022-12-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1005 Å)
Cite:Preclinical and Early Clinical Development of PTC596, a Novel Small-Molecule Tubulin-Binding Agent
Mol Cancer Ther, 20, 2021
6FNS
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BU of 6fns by Molmil
Ergothioneine-biosynthetic methyltransferase EgtD in complex with morpholinohistidine
Descriptor: GLYCEROL, Histidine N-alpha-methyltransferase, Morpholinohistidine
Authors:Vit, A, Blankenfeldt, W, Seebeck, F.P.
Deposit date:2018-02-05
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Inhibition and Regulation of the Ergothioneine Biosynthetic Methyltransferase EgtD.
ACS Chem. Biol., 13, 2018
4F2E
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BU of 4f2e by Molmil
Crystal structure of the Streptococcus pneumoniae D39 copper chaperone CupA with Cu(I)
Descriptor: CHLORIDE ION, COPPER (I) ION, CupA
Authors:Fu, Y, Dann III, C.E, Giedroc, D.P.
Deposit date:2012-05-07
Release date:2013-01-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:A new structural paradigm in copper resistance in Streptococcus pneumoniae.
Nat.Chem.Biol., 9, 2013
6GHZ
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BU of 6ghz by Molmil
Structure of Lytic Transglycosylase MltE mutant Y192F from E.coli
Descriptor: Endo-type membrane-bound lytic murein transglycosylase A
Authors:Batuecas, M.T, Hermoso, J.A.
Deposit date:2018-05-09
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:A Structural Dissection of the Active Site of the Lytic Transglycosylase MltE from Escherichia coli.
Biochemistry, 57, 2018
4F2F
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BU of 4f2f by Molmil
Crystal structure of the metal binding domain (MBD) of the Streptococcus pneumoniae D39 Cu(I) exporting P-type ATPase CopA with Cu(I)
Descriptor: CHLORIDE ION, COPPER (I) ION, Cation-transporting ATPase, ...
Authors:Fu, Y, Dann III, C.E, Giedroc, D.P.
Deposit date:2012-05-07
Release date:2013-01-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A new structural paradigm in copper resistance in Streptococcus pneumoniae.
Nat.Chem.Biol., 9, 2013
2QS3
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BU of 2qs3 by Molmil
Crystal structure of the GluR5 ligand binding core dimer in complex with UBP316 at 1.76 Angstroms resolution
Descriptor: 3-({3-[(2S)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)-5-phenylthiophene-2-carboxylic acid, CHLORIDE ION, Glutamate receptor, ...
Authors:Alushin, G.M, Jane, D.E, Mayer, M.L.
Deposit date:2007-07-30
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:ACET is a highly potent and specific kainate receptor antagonist: characterisation and effects on hippocampal mossy fibre function.
Neuropharmacology, 56, 2009
4L8Z
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BU of 4l8z by Molmil
Crystal structure of Human Hsp90 with RL1
Descriptor: Heat shock protein HSP 90-alpha, [5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
Authors:Li, J, Ren, J, Yang, M, Xiong, B, He, J.
Deposit date:2013-06-18
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization
Bioorg.Med.Chem.Lett., 24, 2014
8T7C
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BU of 8t7c by Molmil
Crystal structure of human phospholipase C gamma 2
Descriptor: 1,2-ETHANEDIOL, 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2, CALCIUM ION
Authors:Chen, Y, Choi, H, Zhuang, N, Hu, L, Qian, D, Wang, J.
Deposit date:2023-06-20
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The crystal and cryo-EM structures of PLCg2 reveal dynamic inter-domain recognitions in autoinhibition
To Be Published
1HFP
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BU of 1hfp by Molmil
COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE
Descriptor: DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A.
Deposit date:1997-11-04
Release date:1998-01-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Comparison of ternary crystal complexes of F31 variants of human dihydrofolate reductase with NADPH and a classical antitumor furopyrimidine.
Anti-Cancer Drug Des., 13, 1998
1HFQ
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BU of 1hfq by Molmil
COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE
Descriptor: DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A.
Deposit date:1997-11-04
Release date:1998-01-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Comparison of ternary crystal complexes of F31 variants of human dihydrofolate reductase with NADPH and a classical antitumor furopyrimidine.
Anti-Cancer Drug Des., 13, 1998
1OHJ
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BU of 1ohj by Molmil
HUMAN DIHYDROFOLATE REDUCTASE, MONOCLINIC (P21) CRYSTAL FORM
Descriptor: DIHYDROFOLATE REDUCTASE, N-(4-CARBOXY-4-{4-[(2,4-DIAMINO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-BUTYL)-PHTHALAMIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W.
Deposit date:1997-09-17
Release date:1998-04-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Comparison of two independent crystal structures of human dihydrofolate reductase ternary complexes reduced with nicotinamide adenine dinucleotide phosphate and the very tight-binding inhibitor PT523.
Biochemistry, 36, 1997
1OHK
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BU of 1ohk by Molmil
HUMAN DIHYDROFOLATE REDUCTASE, ORTHORHOMBIC (P21 21 21) CRYSTAL FORM
Descriptor: DIHYDROFOLATE REDUCTASE, N-(4-CARBOXY-4-{4-[(2,4-DIAMINO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-BUTYL)-PHTHALAMIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W.
Deposit date:1997-09-17
Release date:1998-05-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Comparison of two independent crystal structures of human dihydrofolate reductase ternary complexes reduced with nicotinamide adenine dinucleotide phosphate and the very tight-binding inhibitor PT523.
Biochemistry, 36, 1997
4L91
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BU of 4l91 by Molmil
Crystal structure of Human Hsp90 with X29
Descriptor: 4-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-chlorobenzene-1,3-diol, Heat shock protein HSP 90-alpha
Authors:Li, J, Ren, J, Yang, M, Xiong, B, He, J.
Deposit date:2013-06-18
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization
Bioorg.Med.Chem.Lett., 24, 2014
4L94
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BU of 4l94 by Molmil
Crystal structure of Human Hsp90 with S46
Descriptor: (4-hydroxyphenyl)(4-methylpiperazin-1-yl)methanone, Heat shock protein HSP 90-alpha
Authors:Li, J, Ren, J, Yang, M, Xiong, B, He, J.
Deposit date:2013-06-18
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization
Bioorg.Med.Chem.Lett., 24, 2014

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