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5JJV
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BU of 5jjv by Molmil
Crystal structure of XerH site-specific recombinase bound to palindromic difH substrate: post-cleavage complex
分子名称: CHLORIDE ION, DNA (5'-D(*TP*AP*GP*TP*TP*AP*TP*GP*AP*AP*AP*AP*C)-3'), DNA (5'-D(*TP*GP*CP*AP*GP*TP*TP*TP*TP*CP*AP*TP*AP*AP*CP*TP*A)-3'), ...
著者Bebel, A, Barabas, O.
登録日2016-04-25
公開日2016-12-28
最終更新日2018-09-19
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural snapshots of Xer recombination reveal activation by synaptic complex remodeling and DNA bending.
Elife, 5, 2016
7NRG
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BU of 7nrg by Molmil
Crystal structure of a shortened IpgC variant in complex with (1R)-2-amino-1-(4-fluorophenyl)ethanol
分子名称: (1R)-2-amino-1-(4-fluorophenyl)ethanol, CHLORIDE ION, Chaperone protein IpgC, ...
著者Gardonyi, M, Heine, A, Klebe, G.
登録日2021-03-03
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystal structure of a shortened IpgC variant in complex with (1R)-2-amino-1-(4-fluorophenyl)ethanol
To Be Published
7NWR
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BU of 7nwr by Molmil
Structure of BT1526, a myo-inositol-1-phosphate synthase
分子名称: Inositol-3-phosphate synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION
著者Basle, A, Tang, G, Marles-Wright, J, Campopiano, D.
登録日2021-03-17
公開日2022-03-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Characterization of inositol lipid metabolism in gut-associated Bacteroidetes.
Nat Microbiol, 7, 2022
3R9H
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BU of 3r9h by Molmil
CDK2 in complex with inhibitor RC-2-142
分子名称: 4-amino-N-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-03-25
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
2I9E
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BU of 2i9e by Molmil
Structure of Triosephosphate Isomerase of Tenebrio molitor
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Triosephosphate isomerase
著者Schmidt, A, Scheerer, P, Wessner, H, Hoehne, W, Krauss, N.
登録日2006-09-05
公開日2006-09-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A coleopteran triosephosphate isomerase: X-ray structure and phylogenetic impact of insect sequences.
Insect Mol Biol, 19, 2010
7NWY
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BU of 7nwy by Molmil
Crystal structure of alpha carbonic anhydrase from schistosoma mansoni with 4-(3-(4-fluorophenyl)ureido)benzenesulfonamide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase, ...
著者Angeli, A, Ferraroni, M.
登録日2021-03-17
公開日2022-03-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.807 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7O2M
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BU of 7o2m by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2289
分子名称: 1-[(3~{S},6~{S},9~{S},19~{R})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-9-(phenylmethyl)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine, Genome polyprotein
著者Huber, S, Heine, A, Steinmetzer, T.
登録日2021-03-30
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7OC2
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BU of 7oc2 by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2295
分子名称: Cyclic 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-BENZENE-(7-3)-7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE-(7-19)-N-ACETYL-L-CYSTEINE-(8-25)-[3R-[3A,4A,5B(S*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID-()-(6E,11E)-HEPTADECA-6,11-DIENE-9,9-DIYLBIS(PHOSPHONIC ACID), Serine protease NS3, Serine protease subunit NS2B
著者Huber, S, Heine, A, Steinmetzer, T.
登録日2021-04-25
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7OD2
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BU of 7od2 by Molmil
NMR structure of the Anemonia erythraea AeTX-K toxin
分子名称: Kappa-actitoxin-Aer3a
著者Qasim, A, Qassem, N, Chill, J.H.
登録日2021-04-28
公開日2022-04-06
実験手法SOLUTION NMR
主引用文献Structural determination of AeTX-K by NMR
To Be Published
7O55
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BU of 7o55 by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2231
分子名称: Inhibitor MI-2231, Serine protease NS3, Serine protease subunit NS2B
著者Huber, S, Heine, A, Steinmetzer, T.
登録日2021-04-07
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
4QQZ
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BU of 4qqz by Molmil
Crystal structure of T. fusca Cas3-AMPPNP
分子名称: CRISPR-associated helicase, Cas3 family, DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), ...
著者Ke, A, Huo, Y, Nam, K.H.
登録日2014-06-30
公開日2014-08-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation.
Nat.Struct.Mol.Biol., 21, 2014
5JHJ
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BU of 5jhj by Molmil
M. Oryzae effector AVR-Pia mutant H3
分子名称: Antivirulence protein AVR-Pia
著者Padilla, A, deGuillen, K.
登録日2016-04-21
公開日2017-03-29
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Recognition of the Magnaporthe oryzae Effector AVR-Pia by the Decoy Domain of the Rice NLR Immune Receptor RGA5.
Plant Cell, 29, 2017
7OBV
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BU of 7obv by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2248
分子名称: Inhibitor MI-2248, Serine protease NS3, Serine protease subunit NS2B
著者Huber, S, Heine, A, Steinmetzer, T.
登録日2021-04-23
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7QCO
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BU of 7qco by Molmil
The structure of Photosystem I tetramer from Chroococcidiopsis TS-821, a thermophilic, unicellular, non-heterocyst-forming cyanobacterium
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, BETA-CAROTENE, CHLOROPHYLL A, ...
著者Semchonok, D.A, Mondal, J, Cooper, J.C, Schlum, K, Li, M, Amin, M, Sorzano, C.O.S, Ramirez-Aportela, E, Kastritis, P.L, Boekema, E.J, Guskov, A, Bruce, B.D.
登録日2021-11-24
公開日2022-04-06
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structure of a tetrameric photosystem I from Chroococcidiopsis TS-821, a thermophilic, unicellular, non-heterocyst-forming cyanobacterium.
Plant Commun., 3, 2022
7O3N
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BU of 7o3n by Molmil
Crystal Structure of AcrB Single Mutant - 2
分子名称: DODECYL-BETA-D-MALTOSIDE, Efflux pump membrane transporter
著者Ababou, A.
登録日2021-04-02
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.561 Å)
主引用文献Crystal Structure of AcrB Single Mutant - 2
To Be Published
7O04
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BU of 7o04 by Molmil
Crystal structure of a shortened IpgC variant in complex with [(2-chloro-5-nitrophenyl)methyl](methyl)amine
分子名称: 1-(2-chloro-5-nitrophenyl)-N-methylmethanamine, CHLORIDE ION, Chaperone protein IpgC, ...
著者Gardonyi, M, Heine, A, Klebe, G.
登録日2021-03-25
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of a shortened IpgC variant in complex with [(2-chloro-5-nitrophenyl)methyl](methyl)amine
To be published
4QVS
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BU of 4qvs by Molmil
2.1 Angstrom resolution crystal structure of S-layer domain-containing protein (residues 221-444) from Clostridium thermocellum ATCC 27405
分子名称: CHLORIDE ION, S-layer domain-containing protein, SODIUM ION
著者Halavaty, A.S, Wawrzak, Z, Filippova, E.V, Minasov, G, Kiryukhina, O, Shuvalova, L, Jedrzejczak, R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2014-07-15
公開日2014-07-30
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献2.1 Angstrom resolution crystal structure of S-layer domain-containing protein (residues 221-444) from Clostridium thermocellum ATCC 27405
To be Published
4QQY
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BU of 4qqy by Molmil
Crystal structure of T. fusca Cas3-ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, CRISPR-associated helicase, Cas3 family, ...
著者Ke, A, Huo, Y, Nam, K.H.
登録日2014-06-30
公開日2014-08-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation.
Nat.Struct.Mol.Biol., 21, 2014
7NZT
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BU of 7nzt by Molmil
Crystal structure of chimeric carbonic anhydrase VA with 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
分子名称: 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2021-03-24
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal structure of chimeric carbonic anhydrase VA
To Be Published
4QX4
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BU of 4qx4 by Molmil
Human Aldose Reductase complexed with a ligand with a new scaffold at 1.26 A
分子名称: (3-thioxo-2,3-dihydro-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Rechlin, C, Heine, A, Klebe, G.
登録日2014-07-18
公開日2015-04-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.259 Å)
主引用文献Identification of novel aldose reductase inhibitors based on carboxymethylated mercaptotriazinoindole scaffold.
J.Med.Chem., 58, 2015
7O48
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BU of 7o48 by Molmil
Crystal structure of carbonic anhydrase from schistosoma mansoni with 4-(2-(3-(4-iodophenyl)thioureido)ethyl)benzenesulfonamide
分子名称: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Angeli, A, Ferraroni, M.
登録日2021-04-05
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
4QST
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BU of 4qst by Molmil
Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with 1-methylquinolin 2-one
分子名称: 1,2-ETHANEDIOL, 1-METHYLQUINOLIN-2(1H)-ONE, ATPase family AAA domain-containing protein 2, ...
著者Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2014-07-06
公開日2014-07-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain
MedChemComm, 5, 2014
5JPZ
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BU of 5jpz by Molmil
Crystal structure of HAT domain of human Squamous Cell Carcinoma Antigen Recognized By T Cells 3, SART3 (TIP110)
分子名称: Squamous cell carcinoma antigen recognized by T-cells 3
著者Grazette, A, Harper, S, Emsley, J, Layfield, R, Dreveny, I.
登録日2016-05-04
公開日2016-05-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.045 Å)
主引用文献unpublished
To Be Published
7O2O
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BU of 7o2o by Molmil
Lysozyme structure from microfluidic-based in situ data collection
分子名称: 1,2-ETHANEDIOL, Lysozyme C, SODIUM ION
著者Gardais, A, Chavas, L.
登録日2021-03-31
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.833 Å)
主引用文献Manufacturing of Ultra-Thin X-ray-Compatible COC Microfluidic Devices for Optimal In Situ Macromolecular Crystallography Experiments.
Micromachines (Basel), 13, 2022
7O3D
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BU of 7o3d by Molmil
Cooperation between the intrinsically disordered and ordered regions of Spt6 regulates nucleosome and Pol II CTD binding, and nucleosome assembly
分子名称: Transcription elongation factor SPT6
著者Kasiliauskaite, A, Kubicek, K, Klumpler, T, Zanova, M, Zapletal, D, Novacek, J, Stefl, R.
登録日2021-04-01
公開日2022-04-13
最終更新日2022-06-15
実験手法ELECTRON MICROSCOPY (3.71 Å)
主引用文献Cooperation between intrinsically disordered and ordered regions of Spt6 regulates nucleosome and Pol II CTD binding, and nucleosome assembly.
Nucleic Acids Res., 50, 2022

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