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6VBL
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BU of 6vbl by Molmil
Crystal structure of the transpeptidase domain of PBP2 from the Neisseria gonorrhoeae cephalosporin decreased susceptibility strain 35/02
Descriptor: Probable peptidoglycan D,D-transpeptidase PenA
Authors:Singh, A, Davies, C.
Deposit date:2019-12-19
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Mutations in Neisseria gonorrhoeae penicillin-binding protein 2 associated with extended-spectrum cephalosporin resistance create an energetic barrier against acylation via restriction of protein dynamics
J.Biol.Chem., 2020
6R2V
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BU of 6r2v by Molmil
Arabidopsis NF-Y/CCAAT-box complex
Descriptor: FT (-5kb) CCAAT-box 3', FT (-5kb) CCAAT-box 5', NF-YB2, ...
Authors:Chaves-Sanjuan, A, Gnesutta, N, Chiara, M, Bernardini, A, Fornara, F, Horner, D, Nardini, M, Mantovani, R.
Deposit date:2019-03-19
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Structural determinants for NF-Y subunit organization and NF-Y/DNA association in plants.
Plant J., 105, 2021
3V6E
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BU of 3v6e by Molmil
Crystal Structure of USP2 and a mutant form of Ubiquitin
Descriptor: CHLORIDE ION, GLYCEROL, Ubiquitin, ...
Authors:Neculai, M, Ernst, A, Sidhu, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2011-12-19
Release date:2012-12-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
5HGQ
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BU of 5hgq by Molmil
Loa loa Lysyl-tRNA synthetase in complex with Cladosporin.
Descriptor: GLYCEROL, LYSINE, Lysine--tRNA ligase, ...
Authors:Sharma, A, Sharma, M, Yogavel, M, Sharma, A.
Deposit date:2016-01-08
Release date:2016-10-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.283 Å)
Cite:Protein Translation Enzyme lysyl-tRNA Synthetase Presents a New Target for Drug Development against Causative Agents of Loiasis and Schistosomiasis
PLoS Negl Trop Dis, 10, 2016
5SZ5
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BU of 5sz5 by Molmil
Carbonic anhydrase IX-mimic in complex with 4-(2-methylphenyl)-benzenesulfonamide
Descriptor: 4-(2-methylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R.
Deposit date:2016-08-12
Release date:2016-12-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.274 Å)
Cite:Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
6V98
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BU of 6v98 by Molmil
Crystal structure of Type VI secretion system effector, TseH (VCA0285)
Descriptor: CALCIUM ION, Cysteine hydrolase
Authors:Watanabe, N, Hersch, S.J, Dong, T.G, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-12-13
Release date:2020-01-15
Last modified:2020-05-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Envelope stress responses defend against type six secretion system attacks independently of immunity proteins.
Nat Microbiol, 5, 2020
8B7W
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BU of 8b7w by Molmil
Complex IL-17A/anti-IL-17A-76
Descriptor: CHLORIDE ION, GLYCEROL, Interleukin-17A, ...
Authors:Kostareva, O.S, Svoeglazova, A, Kolyadenko, I.A, Dzhus, U.F, Tishchenko, S.V, Gabdulkhakov, A.G.
Deposit date:2022-10-03
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Two Epitope Regions Revealed in the Complex of IL-17A and Anti-IL-17A V H H Domain.
Int J Mol Sci, 23, 2022
5L4M
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BU of 5l4m by Molmil
Crystal Structure of Human Transthyretin in Complex with 3,5,6-Trichloro-2-pyridinyloxyacetic acid (Triclopyr)
Descriptor: SODIUM ION, Transthyretin, Triclopyr
Authors:Grundstrom, C, Hall, M, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E.
Deposit date:2016-05-25
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.581 Å)
Cite:Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin.
Environ. Sci. Technol., 50, 2016
1LQD
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BU of 1lqd by Molmil
CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 45.
Descriptor: 1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL-1H-INDOLE-2-CARBOXYLIC ACID 3,5-DIMETHYL-BENZYLAMIDE, Blood coagulation factor Xa, CALCIUM ION
Authors:Schreuder, H.A, Loenze, P, Brachvogel, V, Liesum, A.
Deposit date:2002-05-10
Release date:2003-05-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa
J.Med.Chem., 45, 2002
6HNX
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BU of 6hnx by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM35133
Descriptor: 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-phenyl-benzamide, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6HO1
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BU of 6ho1 by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM41974
Descriptor: GLYCEROL, HTH-type transcriptional regulator EthR, ethyl 2-[4-[4-(3-methylbutylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethanoate
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6HO5
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BU of 6ho5 by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44719
Descriptor: 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-(phenylmethyl)benzamide, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6HOB
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BU of 6hob by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44831
Descriptor: 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6HPA
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BU of 6hpa by Molmil
Crystal structure of a BA3943 mutant,a CE4 family pseudoenzyme
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Putative polysaccharide deacetylase, SULFATE ION
Authors:Molfetas, A, Tomatsidou, N, Kokkinidis, M.
Deposit date:2018-09-20
Release date:2019-10-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.554 Å)
Cite:The resurrection of a dean enzyme
To Be Published
1WQ1
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BU of 1wq1 by Molmil
RAS-RASGAP COMPLEX
Descriptor: ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, H-RAS, ...
Authors:Scheffzek, K, Ahmadian, M.R, Kabsch, W, Wiesmueller, L, Lautwein, A, Schmitz, F, Wittinghofer, A.
Deposit date:1997-07-03
Release date:1998-07-15
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Ras-RasGAP complex: structural basis for GTPase activation and its loss in oncogenic Ras mutants.
Science, 277, 1997
6WQF
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BU of 6wqf by Molmil
Structural Plasticity of the SARS-CoV-2 3CL Mpro Active Site Cavity Revealed by Room Temperature X-ray Crystallography
Descriptor: 3C-like proteinase
Authors:Kneller, D.W, Kovalevsky, A, Coates, L.
Deposit date:2020-04-28
Release date:2020-05-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural plasticity of SARS-CoV-2 3CL Mproactive site cavity revealed by room temperature X-ray crystallography.
Nat Commun, 11, 2020
3HB7
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BU of 3hb7 by Molmil
The Crystal Structure of an Isochorismatase-like Hydrolase from Alkaliphilus metalliredigens to 2.3A
Descriptor: AMMONIUM ION, Isochorismatase hydrolase, SODIUM ION
Authors:Stein, A.J, Xu, X, Cui, H, Ng, J, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-05-04
Release date:2009-07-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Crystal Structure of an Isochorismatase-like Hydrolase from Alkaliphilus metalliredigens to 2.3A
To be Published
8BOV
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BU of 8bov by Molmil
X-ray structure of the adduct formed upon reaction of the five-coordinate Pt(II) complex, 1-Me,Me, with HEWL at pH 7.5
Descriptor: 1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene], 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ...
Authors:Ferraro, G, Tito, G, Merlino, A.
Deposit date:2022-11-15
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Impact of Hydrophobic Chains in Five-Coordinate Glucoconjugate Pt(II) Anticancer Agents.
Int J Mol Sci, 24, 2023
8BQW
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BU of 8bqw by Molmil
Cryo-EM structure of alpha-synuclein filaments doublet from Juvenile-onset synucleinopathy
Descriptor: Alpha-synuclein, Unknown protein
Authors:Yang, Y, Garringer, J.H, Shi, Y, Lovestam, S, Peak-Chew, S.Y, Zhang, X.J, Kotecha, A, Bacioglu, M, Koto, A, Takao, M, Spillantini, G.M, Ghetti, B, Vidal, R, Murzin, G.A, Scheres, H.W.S, Goedert, M.
Deposit date:2023-01-18
Release date:2023-02-22
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:New SNCA mutation and structures of alpha-synuclein filaments from juvenile-onset synucleinopathy.
Acta Neuropathol, 145, 2023
8BOY
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BU of 8boy by Molmil
X-ray structure of the adduct formed upon reaction of the five-coordinate Pt(II) complex, 1-Me,Me, with HEWL at pH 4.0
Descriptor: 1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene], Lysozyme C, NITRATE ION, ...
Authors:Ferraro, G, Tito, G, Merlino, A.
Deposit date:2022-11-15
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Impact of Hydrophobic Chains in Five-Coordinate Glucoconjugate Pt(II) Anticancer Agents.
Int J Mol Sci, 24, 2023
5IWA
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BU of 5iwa by Molmil
Crystal structure of the 30S ribosomal subunit from Thermus thermophilus in complex with the GE81112 peptide antibiotic
Descriptor: (2S,3S)-2-{[(2S)-3-(2-amino-1H-imidazol-5-yl)-2-{[(2S,4S)-5-(carbamoyloxy)-4-hydroxy-2-({[(2S,3S)-3-hydroxypiperidin-2-yl]carbonyl}amino)pentanoyl]amino}propanoyl]amino}-3-(2-chloro-1H-imidazol-5-yl)-3-hydroxypropanoic acid, 16S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Schedlbauer, A, Kaminishi, T, Ochoa-Lizarralde, B, Chieko, N, Masahito, K, Takemoto, C, Yokoyama, S, Connell, S.R, Fucini, P.
Deposit date:2016-03-22
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Inhibition of translation initiation complex formation by GE81112 unravels a 16S rRNA structural switch involved in P-site decoding.
Proc.Natl.Acad.Sci.USA, 113, 2016
6ZS9
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BU of 6zs9 by Molmil
Human mitochondrial ribosome in complex with ribosome recycling factor
Descriptor: 12S rRNA, 16S rRNA, 28S ribosomal protein S10, ...
Authors:Aibara, S, Singh, V, Modelska, A, Amunts, A.
Deposit date:2020-07-15
Release date:2020-10-14
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis of mitochondrial translation.
Elife, 9, 2020
3P0Q
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BU of 3p0q by Molmil
Human Tankyrase 2 - Catalytic PARP domain in complex with an inhibitor
Descriptor: N-[2-(4-chlorophenyl)ethyl]-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-amine, SODIUM ION, SULFATE ION, ...
Authors:Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Sehic, A, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2010-09-29
Release date:2010-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors
Nat.Biotechnol., 30, 2012
1PWM
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BU of 1pwm by Molmil
Crystal structure of human Aldose Reductase complexed with NADP and Fidarestat
Descriptor: (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:El-Kabbani, O, Darmanin, C, Schneider, T.R, Hazemann, I, Ruiz, F, Oka, M, Joachimiak, A, Schulze-Briese, C, Tomizaki, T, Mitschler, A, Podjarny, A.
Deposit date:2003-07-02
Release date:2004-02-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (0.92 Å)
Cite:Ultrahigh resolution drug design. II. Atomic resolution structures of human aldose reductase holoenzyme complexed with Fidarestat and Minalrestat: implications for the binding of cyclic imide inhibitors
PROTEINS, 55, 2004
5FBU
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BU of 5fbu by Molmil
Crystal structure of rifampin phosphotransferase RPH-Lm from Listeria monocytogenes in complex with rifampin-phosphate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphoenolpyruvate synthase, ...
Authors:Stogios, P.J, Wawrzak, Z, Skarina, T, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-12-14
Release date:2015-12-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Rifampin phosphotransferase is an unusual antibiotic resistance kinase.
Nat Commun, 7, 2016

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数据于2024-09-11公开中

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