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3VQS
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BU of 3vqs by Molmil
Crystal structure of HCV NS5B RNA polymerase with a novel piperazine inhibitor
Descriptor: (2R)-4-(5-cyclopropyl[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-[3-fluoro-4-(trifluoromethoxy)benzyl]-1-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine-2-carboxamide, CHLORIDE ION, RNA-directed RNA polymerase
Authors:Adachi, T, Doi, S, Ando, I, Sugimoto, K, Orita, T, Nomura, A, Kamada, M.
Deposit date:2012-03-30
Release date:2012-08-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Preclinical Characterization of JTK-853, a Novel Nonnucleoside Inhibitor of the Hepatitis C Virus RNA-Dependent RNA Polymerase.
Antimicrob.Agents Chemother., 56, 2012
1XFE
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BU of 1xfe by Molmil
Solution structure of the LA7-EGFA pair from the LDL receptor
Descriptor: CALCIUM ION, Low-density lipoprotein receptor
Authors:Beglova, N, Jeon, H, Fisher, C, Blacklow, S.C.
Deposit date:2004-09-14
Release date:2004-11-02
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Cooperation between Fixed and Low pH-Inducible Interfaces Controls Lipoprotein Release by the LDL Receptor
Mol.Cell, 16, 2004
6G71
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BU of 6g71 by Molmil
Structure of CYP1232A24 from Arthrobacter sp.
Descriptor: 1,2-ETHANEDIOL, Cytochrome P450, FE (III) ION, ...
Authors:Dubiel, P, Sharma, M, Klenk, J, Hauer, B, Grogan, G.
Deposit date:2018-04-04
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification and characterization of cytochrome P450 1232A24 and 1232F1 from Arthrobacter sp. and their role in the metabolic pathway of papaverine.
J.Biochem., 166, 2019
7QKM
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BU of 7qkm by Molmil
In vitro assembled 266-391 S356D tau filaments with NaCl (45a)
Descriptor: Microtubule-associated protein tau
Authors:Lovestam, S, Scheres, S.H.W.
Deposit date:2021-12-17
Release date:2022-02-16
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Assembly of recombinant tau into filaments identical to those of Alzheimer's disease and chronic traumatic encephalopathy.
Elife, 11, 2022
7NVM
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BU of 7nvm by Molmil
Human TRiC complex in closed state with nanobody Nb18, actin and PhLP2A bound
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Actin, ...
Authors:Kelly, J.J, Chi, G, Bulawa, C, Paavilainen, V.O, Bountra, C, Huiskonen, J.T, Yue, W, Structural Genomics Consortium (SGC)
Deposit date:2021-03-15
Release date:2022-03-02
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Snapshots of actin and tubulin folding inside the TRiC chaperonin.
Nat.Struct.Mol.Biol., 29, 2022
1XFZ
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BU of 1xfz by Molmil
Crystal structure of anthrax edema factor (EF) in complex with calmodulin in the presence of 1 millimolar exogenously added calcium chloride
Descriptor: CALCIUM ION, Calmodulin 2, Calmodulin-sensitive adenylate cyclase, ...
Authors:Shen, Y, Zhukovskaya, N.L, Guo, Q, Florian, J, Tang, W.J.
Deposit date:2004-09-15
Release date:2005-05-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Calcium-independent calmodulin binding and two-metal-ion catalytic mechanism of anthrax edema factor.
EMBO J., 24, 2005
1X6L
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BU of 1x6l by Molmil
Crystal structure of S. marcescens chitinase A mutant W167A
Descriptor: Chitinase A
Authors:Aronson Jr, N.N, Halloran, B.A, Alexyev, M.F, Zhou, X.E, Wang, Y, Meehan, E.J, Chen, L.
Deposit date:2004-08-11
Release date:2005-07-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mutation of Trp167 at the -3 subsite of the chitin-binding cleft of S. marcescens chitinase A caused enhanced transglycosylation
To be Published
6DOK
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BU of 6dok by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 25 mM K+ for 120 s at 21 C (dataset 1)
Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), 5'-R(P*CP*G)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-09
Release date:2018-08-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
3VSF
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BU of 3vsf by Molmil
Crystal structure of 1,3Gal43A, an exo-beta-1,3-Galactanase from Clostridium thermocellum
Descriptor: GLYCEROL, Ricin B lectin
Authors:Jiang, D, Fan, J, Wang, X, Zhao, Y, Huang, B, Zhang, X.C.
Deposit date:2012-04-25
Release date:2012-12-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.757 Å)
Cite:Crystal structure of 1,3Gal43A, an exo-beta-1,3-galactanase from Clostridium thermocellum
J.Struct.Biol., 180, 2012
3V9F
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BU of 3v9f by Molmil
Crystal Structure of the extracellular domain of the putative hybrid two component system BT3049 from B. thetaiotaomicron
Descriptor: Two-component system sensor histidine kinase/response regulator, hybrid (One-component system)
Authors:Zhang, Z, Liu, Q, Hendrickson, W.A.
Deposit date:2011-12-27
Release date:2012-03-14
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structures of apparent saccharide sensors from histidine kinase receptors prevalent in a human gut symbiont.
Febs J., 281, 2014
7NSG
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BU of 7nsg by Molmil
Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with HIP-B
Descriptor: (+)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid, (-)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Baronina, A, Pike, A.C.W, Yu, X, Dong, Y.Y, Shintre, C.A, Tessitore, A, Chu, A, Rotty, B, Venkaya, S, Mukhopadhyay, S.M.M, Borkowska, O, Chalk, R, Shrestha, L, Burgess-Brown, N.A, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Han, S, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2021-03-05
Release date:2022-03-16
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with HIP-B
TO BE PUBLISHED
6DOY
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BU of 6doy by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM Li+ for 120 s at 21 C
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-09
Release date:2018-08-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
8T4Q
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BU of 8t4q by Molmil
2.07 Angstrom CryoEM Structure of Heavy Chain Apoferritin from Mus Musculus From 200kV Microscope
Descriptor: FE (III) ION, Ferritin heavy chain, N-terminally processed
Authors:Liu, Y, Pintilie, G, Chiu, W.
Deposit date:2023-06-09
Release date:2024-08-28
Method:ELECTRON MICROSCOPY (2.07 Å)
Cite:2.07 Angstrom CryoEM Structure of Heavy Chain Apoferritin from Mus Musculus From 200kV Microscope
To Be Published
7QKI
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BU of 7qki by Molmil
In vitro assembled 297-408 S396D S400D T403D S404D tau filaments (42a)
Descriptor: Microtubule-associated protein tau
Authors:Lovestam, S, Scheres, S.H.W.
Deposit date:2021-12-17
Release date:2022-02-16
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Assembly of recombinant tau into filaments identical to those of Alzheimer's disease and chronic traumatic encephalopathy.
Elife, 11, 2022
6DPC
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BU of 6dpc by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 12 mM Mn2+ and 200 mM K+ for 40 s at 21 C
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-09
Release date:2018-08-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
3VBD
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BU of 3vbd by Molmil
Complex of human carbonic anhydrase II with 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide
Descriptor: 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Mader, P, Brynda, J, Rezacova, P.
Deposit date:2012-01-02
Release date:2012-04-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Synthesis, Structure-Activity Relationship Studies, and X-ray Crystallographic Analysis of Arylsulfonamides as Potent Carbonic Anhydrase Inhibitors.
J.Med.Chem., 55, 2012
4MDD
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BU of 4mdd by Molmil
Crystal Structure of the Glucocorticoid Receptor Bound to a Non-steroidal Antagonist Reveals Repositioning and Partial Disordering of Activation Function Helix 12
Descriptor: Glucocorticoid receptor, N-[2-{[benzyl(methyl)amino]methyl}-3-(4-fluoro-2-methoxyphenyl)-5-(propan-2-yl)-1H-indol-7-yl]methanesulfonamide, Nuclear receptor corepressor 1
Authors:Coghlan, M.J, Luz, J.G.
Deposit date:2013-08-22
Release date:2014-12-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the Glucocorticoid Receptor Bound to a Non-steroidal Antagonist Reveals Repositioning and Partial Disordering of Activation Function Helix 12
To be Published
7QL4
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BU of 7ql4 by Molmil
in vitro assembled tau filaments with structures like Paired Helical Filaments from Alzheimer's Disease
Descriptor: Microtubule-associated protein tau
Authors:Lovestam, S, Scheres, S.H.W.
Deposit date:2021-12-19
Release date:2022-02-16
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Assembly of recombinant tau into filaments identical to those of Alzheimer's disease and chronic traumatic encephalopathy.
Elife, 11, 2022
1X7D
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BU of 1x7d by Molmil
Crystal Structure Analysis of Ornithine Cyclodeaminase Complexed with NAD and ornithine to 1.6 Angstroms
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, L-ornithine, ...
Authors:Alam, S, Goodman, J.L, Wang, S, Ruzicka, F.J, Frey, P.A, Wedekind, J.E.
Deposit date:2004-08-13
Release date:2004-11-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Ornithine Cyclodeaminase: Structure, Mechanism of Action, and Implications for the u-Crystallin Family
Biochemistry, 43, 2004
6G98
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BU of 6g98 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Descriptor: 4-[2-[3-(cyclododecylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid, Carbonic anhydrase 9, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2018-04-10
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells.
Oncotarget, 9, 2018
7QKU
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BU of 7qku by Molmil
in vitro assembled 266/297 - 391 tau filaments with MgCl2 and NaCl (14a)
Descriptor: Microtubule-associated protein tau
Authors:Lovestam, S, Scheres, S.H.W.
Deposit date:2021-12-19
Release date:2022-02-16
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.57 Å)
Cite:Assembly of recombinant tau into filaments identical to those of Alzheimer's disease and chronic traumatic encephalopathy.
Elife, 11, 2022
7OFL
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BU of 7ofl by Molmil
Crystal structure of the sesquiterpene synthase Copu9 from coniophora puteana in complex with alendronate
Descriptor: 1,2-ETHANEDIOL, 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, MAGNESIUM ION, ...
Authors:Dimos, N, Loll, B.
Deposit date:2021-05-05
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Biotechnological potential and initial characterization of two novel sesquiterpene synthases from Basidiomycota Coniophora puteana for heterologous production of delta-cadinol.
Microb Cell Fact, 21, 2022
6G9L
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BU of 6g9l by Molmil
Structure of homomeric mLRRC8A volume-regulated anion channel at 5.01 A resolution
Descriptor: Volume-regulated anion channel subunit LRRC8A
Authors:Sawicka, M, Deneka, D, Lam, A.K.M, Paulino, C, Dutzler, R.
Deposit date:2018-04-11
Release date:2018-05-16
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (5.01 Å)
Cite:Structure of a volume-regulated anion channel of the LRRC8 family.
Nature, 558, 2018
6DQ6
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BU of 6dq6 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N44 i.e. 3-((2-(pyridin-2-yl)-6-(4-(vinylsulfonyl)-1,4-diazepan-1-yl)pyrimidin-4-yl)amino)propanoic acid
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Linked KDM5A Jmj Domain, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.587 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
4MEC
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BU of 4mec by Molmil
Crystal structure of RAT Heme oxygenase-1 in complex with ZN(II)-Protoporphyrin IX
Descriptor: Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING ZN
Authors:Sugishima, M.
Deposit date:2013-08-26
Release date:2014-08-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Distal regulation of heme binding of heme oxygenase-1 mediated by conformational fluctuations
Biochemistry, 54, 2015

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