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4ZZ4
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BU of 4zz4 by Molmil
Neutron crystal structure of ribonuclease A determined by the real space D/H contrast method
Descriptor: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
Authors:Chatake, T, Fujiwara, S.
Deposit date:2015-05-22
Release date:2016-04-06
Last modified:2023-11-08
Method:NEUTRON DIFFRACTION (1.798 Å)
Cite:A technique for determining the deuterium/hydrogen contrast map in neutron macromolecular crystallography
Acta Crystallogr D Struct Biol, 72, 2016
7VHD
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BU of 7vhd by Molmil
Crystal structure of the STX2a complexed with R4A peptide
Descriptor: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ARG-ARG-ARG-ARG-ALA, Shiga toxin 2 B subunit, ...
Authors:Senda, M, Takahashi, M, Nishikawa, K, Senda, T.
Deposit date:2021-09-22
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A unique peptide-based pharmacophore identifies an inhibitory compound against the A-subunit of Shiga toxin.
Sci Rep, 12, 2022
5D6U
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BU of 5d6u by Molmil
X-ray crystal structure of ribonuclease A determined for the real space D/H contrast method
Descriptor: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
Authors:Chatake, T, Fujiwara, S.
Deposit date:2015-08-13
Release date:2016-04-06
Last modified:2020-02-19
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:A technique for determining the deuterium/hydrogen contrast map in neutron macromolecular crystallography
Acta Crystallogr D Struct Biol, 72, 2016
5D97
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BU of 5d97 by Molmil
Neutron crystal structure of H2O-solvent ribonuclease A
Descriptor: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
Authors:Chatake, T, Fujiwara, S.
Deposit date:2015-08-18
Release date:2016-04-06
Last modified:2018-12-05
Method:NEUTRON DIFFRACTION (1.8 Å)
Cite:A technique for determining the deuterium/hydrogen contrast map in neutron macromolecular crystallography
Acta Crystallogr D Struct Biol, 72, 2016
6U3F
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BU of 6u3f by Molmil
Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus
Descriptor: Panton-Valentine Leucocidin F, SULFATE ION, fos-choline-14
Authors:Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M.
Deposit date:2019-08-21
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence.
J.Biol.Chem., 295, 2020
5A2R
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BU of 5a2r by Molmil
A New Crystal Structure of the Drosophila melanogaster Angiotensin Converting Enzyme Homologue AnCE.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, ...
Authors:Harrison, C, Acharya, K.R.
Deposit date:2015-05-22
Release date:2015-08-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A New High-Resolution Crystal Structure of the Drosophila Melanogaster Angiotensin Converting Enzyme Homologue, Ance.
FEBS Open Bio, 5, 2015
4ZLU
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BU of 4zlu by Molmil
Lipomyces starkeyi levoglucosan kinase bound to levoglucosan, ADP and magnesium.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Levoglucosan, ...
Authors:Bacik, J.P.
Deposit date:2015-05-01
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Producing Glucose 6-Phosphate from Cellulosic Biomass: STRUCTURAL INSIGHTS INTO LEVOGLUCOSAN BIOCONVERSION.
J.Biol.Chem., 290, 2015
5CTG
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BU of 5ctg by Molmil
The 3.1 A resolution structure of a eukaryotic SWEET transporter
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Bidirectional sugar transporter SWEET2b, ...
Authors:Tao, Y, Perry, K, Feng, L.
Deposit date:2015-07-24
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.103 Å)
Cite:Structure of a eukaryotic SWEET transporter in a homotrimeric complex.
Nature, 527, 2015
2MEK
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BU of 2mek by Molmil
N-terminal domain of Bilbo1 from Trypanosoma brucei
Descriptor: N-TERMINAL DOMAIN OF BILBO1
Authors:Vidilaseris, K, Morriswood, B, Kontaxis, G, Dong, G.
Deposit date:2013-09-24
Release date:2014-01-01
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure and assembly mechanism of TbBILBO1, an essential flagellar pocket collar protein
To be Published
3HD3
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BU of 3hd3 by Molmil
High resolution crystal structure of cruzain bound to the vinyl sulfone inhibitor SMDC-256047
Descriptor: (1R,2R)-2-[(4-chlorophenyl)carbonyl]-N-{(1S)-1-[2-(phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide, 1,2-ETHANEDIOL, Cruzipain, ...
Authors:Kerr, I.D, Debnath, M, Brinen, L.S.
Deposit date:2009-05-06
Release date:2009-10-06
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Novel non-peptidic vinylsulfones targeting the S2 and S3 subsites of parasite cysteine proteases.
Bioorg.Med.Chem.Lett., 19, 2009
8A1G
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BU of 8a1g by Molmil
Structure of the SNX1-SNX5 complex
Descriptor: N-PROPANOL, Sorting nexin-1, Sorting nexin-5
Authors:Lopez-Robles, C, Scaramuzza, S, Astorga-Simon, E.N, Banos-Mateos, S, Vidaurrazaga, A, Rojas, A.L, Castano, D, Hierro, A.
Deposit date:2022-06-01
Release date:2023-06-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Architecture of the ESCPE-1 membrane coat.
Nat.Struct.Mol.Biol., 30, 2023
3IUT
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BU of 3iut by Molmil
The Crystal Structure of Cruzain in Complex with a Tetrafluorophenoxymethyl Ketone Inhibitor
Descriptor: (3S)-3-(4-{(1S)-1,2-dimethyl-1-[(quinolin-6-ylmethyl)amino]propyl}-1H-1,2,3-triazol-1-yl)heptan-2-one, 1,2-ETHANEDIOL, Cruzipain
Authors:Kerr, I.D, Debnath, M, Brinen, L.S.
Deposit date:2009-08-31
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Nonpeptidic tetrafluorophenoxymethyl ketone cruzain inhibitors as promising new leads for chagas disease chemotherapy.
J.Med.Chem., 53, 2010
5R9A
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BU of 5r9a by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13838a in complex with MAP kinase p38-alpha
Descriptor: 4-benzamido-2-methyl-pyrazole-3-carboxamide, CHLORIDE ION, GLYCEROL, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
8HI5
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BU of 8hi5 by Molmil
Crystal structure of the NADP+ and MSA bound C terminal domain of bi-functional malonyl-CoA reductase from Roseiflexus castenholzii
Descriptor: 3-oxidanylidenepropanoic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase SDR
Authors:Zhang, X, Wu, W.P, Xu, X.
Deposit date:2022-11-18
Release date:2023-05-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of a bi-functional malonyl-CoA reductase (MCR) from the photosynthetic green non-sulfur bacterium Roseiflexus castenholzii.
Mbio, 14, 2023
7MZM
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BU of 7mzm by Molmil
SARS-CoV-2 receptor binding domain bound to Fab PDI 215
Descriptor: ISOPROPYL ALCOHOL, PDI 215 heavy chain, PDI 215 light chain, ...
Authors:Pymm, P, Dietrich, M.H, Tan, L.L, Chan, L.J, Tham, W.H.
Deposit date:2021-05-24
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Landscape of human antibody recognition of the SARS-CoV-2 receptor binding domain.
Cell Rep, 37, 2021
7PUA
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BU of 7pua by Molmil
Middle assembly intermediate of the Trypanosoma brucei mitoribosomal small subunit
Descriptor: 30S Ribosomal protein S17, putative, 30S ribosomal protein S8, ...
Authors:Lenarcic, T, Leibundgut, M, Saurer, M, Ramrath, D.J.F, Fluegel, T, Boehringer, D, Ban, N.
Deposit date:2021-09-29
Release date:2022-03-02
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Mitoribosomal small subunit maturation involves formation of initiation-like complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Q1T
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BU of 7q1t by Molmil
A de novo designed hetero-dimeric antiparallel coiled coil apCC-Di-AB
Descriptor: N-PROPANOL, SULFATE ION, apCC-Di-A, ...
Authors:Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B.
Deposit date:2021-10-20
Release date:2022-07-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:De novo designed peptides for cellular delivery and subcellular localisation.
Nat.Chem.Biol., 18, 2022
5IGJ
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BU of 5igj by Molmil
Macrolide 2'-phosphotransferase type I - complex with guanosine and clarithromycin
Descriptor: CLARITHROMYCIN, GUANOSINE, ISOPROPYL ALCOHOL, ...
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2016-02-28
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
5IGI
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BU of 5igi by Molmil
Macrolide 2'-phosphotransferase type I - complex with guanosine and azithromycin
Descriptor: AZITHROMYCIN, GUANOSINE, ISOPROPYL ALCOHOL, ...
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2016-02-28
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
5IGP
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BU of 5igp by Molmil
Macrolide 2'-phosphotransferase type I - complex with GDP and erythromycin
Descriptor: ERYTHROMYCIN A, GUANOSINE-5'-DIPHOSPHATE, ISOPROPYL ALCOHOL, ...
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2016-02-28
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
8AXO
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BU of 8axo by Molmil
Crystal structure of the C-terminal domain of Trypanosoma brucei CFAP410
Descriptor: TbCFAP410-CTD
Authors:Dong, G, Stadler, A.
Deposit date:2022-08-31
Release date:2023-09-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Structural studies of cilia and flagella associated protein 410 (CFAP410) reveal its bimodular organization with an N-terminal LRR motif and a C-terminal tetrameric helical bundle
To Be Published
8V8M
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BU of 8v8m by Molmil
Switchgrass Chalcone Synthase
Descriptor: COENZYME A, Chalcone synthase, NARINGENIN
Authors:Lewis, J.A, Kang, C.
Deposit date:2023-12-05
Release date:2024-05-29
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural and Interactional Analysis of the Flavonoid Pathway Proteins: Chalcone Synthase, Chalcone Isomerase and Chalcone Isomerase-like Protein.
Int J Mol Sci, 25, 2024
8V8O
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BU of 8v8o by Molmil
Switchgrass Chalcone Isomerase-Like Protein
Descriptor: Chalcone-flavonone isomerase family protein
Authors:Lewis, J.A, Kang, C.
Deposit date:2023-12-05
Release date:2024-05-29
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structural and Interactional Analysis of the Flavonoid Pathway Proteins: Chalcone Synthase, Chalcone Isomerase and Chalcone Isomerase-like Protein.
Int J Mol Sci, 25, 2024
4URF
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BU of 4urf by Molmil
Molecular Genetic and Crystal Structural Analysis of 1-(4- Hydroxyphenyl)-Ethanol Dehydrogenase from Aromatoleum aromaticum EbN1
Descriptor: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ACETATE ION, BICARBONATE ION, ...
Authors:Buesing, I, Hoeffken, H.W, Breuer, M, Woehlbrand, L, Hauer, B, Rabus, R.
Deposit date:2014-06-28
Release date:2015-07-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Molecular Genetic and Crystal Structural Analysis of 1-(4-Hydroxyphenyl)-Ethanol Dehydrogenase from 'Aromatoleum Aromaticum' Ebn1.
J.Mol.Microbiol.Biotechnol., 25, 2015
7PUB
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BU of 7pub by Molmil
Late assembly intermediate of the Trypanosoma brucei mitoribosomal small subunit
Descriptor: 30S Ribosomal protein S17, putative, 30S ribosomal protein S8, ...
Authors:Lenarcic, T, Leibundgut, M, Saurer, M, Ramrath, D.J.F, Fluegel, T, Boehringer, D, Ban, N.
Deposit date:2021-09-29
Release date:2022-05-04
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Mitoribosomal small subunit maturation involves formation of initiation-like complexes.
Proc.Natl.Acad.Sci.USA, 119, 2022

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PDB entries from 2024-08-21

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