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1WP5
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BU of 1wp5 by Molmil
Crystal structure of the C-terminal domain of DNA topoisomerase IV
Descriptor: topoisomerase IV
Authors:Hsieh, T.-J, Farh, L, Huang, W.M, Chan, N.-L.
Deposit date:2004-08-30
Release date:2004-10-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structure of the topoisomerase IV C-terminal domain: a broken beta-propeller implies a role as geometry facilitator in catalysis
J.Biol.Chem., 279, 2004
8RQM
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BU of 8rqm by Molmil
Alpha-synuclein amyloid fibrils
Descriptor: Alpha-synuclein
Authors:Saibil, H.R, Monistrol, J.
Deposit date:2024-01-18
Release date:2024-02-28
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Stepwise recruitment of Hsc70 by DNAJB1 produces ordered arrays primed for bursts of amyloid fibre disassembly
Biorxiv, 2024
2A5P
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BU of 2a5p by Molmil
Monomeric parallel-stranded DNA tetraplex with snap-back 3+1 3' G-tetrad, single-residue chain reversal loops, GAG triad in the context of GAAG diagonal loop, NMR, 8 struct.
Descriptor: 5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*IP*GP*AP*GP*GP*GP*TP*GP*GP*GP*GP*AP*AP*GP*G)-3'
Authors:Phan, A.T, Kuryavyi, V.V, Gaw, H.Y, Patel, D.J.
Deposit date:2005-06-30
Release date:2005-07-26
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Small-molecule interaction with a five-guanine-tract G-quadruplex structure from the human MYC promoter.
Nat.Chem.Biol., 1, 2005
244D
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BU of 244d by Molmil
THE HIGH-RESOLUTION CRYSTAL STRUCTURE OF A PARALLEL-STRANDED GUANINE TETRAPLEX
Descriptor: CALCIUM ION, DNA (5'-D(*TP*GP*GP*GP*GP*T)-3'), SODIUM ION
Authors:Laughlan, G, Murchie, A.I.H, Norman, D.G, Moore, M.H, Moody, P.C.E, Lilley, D.M.J, Luisi, B.
Deposit date:1995-10-19
Release date:1996-02-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The high-resolution crystal structure of a parallel-stranded guanine tetraplex.
Science, 265, 1994
8B78
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BU of 8b78 by Molmil
KRasG12C ligand complex
Descriptor: 1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Phillips, C, Breed, J.
Deposit date:2022-09-29
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Discovery of AZD4747, a Potent and Selective Inhibitor of Mutant GTPase KRAS G12C with Demonstrable CNS Penetration.
J.Med.Chem., 66, 2023
8B6I
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BU of 8b6i by Molmil
KRasG12C ligand complex
Descriptor: 1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Phillips, C, Breed, J.
Deposit date:2022-09-27
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of AZD4747, a Potent and Selective Inhibitor of Mutant GTPase KRAS G12C with Demonstrable CNS Penetration.
J.Med.Chem., 66, 2023
8B5K
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BU of 8b5k by Molmil
Structure of haloalkane dehalogenase DmmarA from Mycobacterium marinum at pH 6.5
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, ...
Authors:Snajdarova, K, Marek, M.
Deposit date:2022-09-23
Release date:2023-08-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Atypical homodimerization revealed by the structure of the (S)-enantioselective haloalkane dehalogenase DmmarA from Mycobacterium marinum.
Acta Crystallogr D Struct Biol, 79, 2023
8B5O
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BU of 8b5o by Molmil
Structure of haloalkane dehalogenase DmmarA from Mycobacterium marinum at pH 5.5
Descriptor: ACETATE ION, FORMIC ACID, GLYCEROL, ...
Authors:Snajdarova, K, Marek, M.
Deposit date:2022-09-23
Release date:2023-08-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.597 Å)
Cite:Atypical homodimerization revealed by the structure of the (S)-enantioselective haloalkane dehalogenase DmmarA from Mycobacterium marinum.
Acta Crystallogr D Struct Biol, 79, 2023
7CUV
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BU of 7cuv by Molmil
Crystal structure of a novel alpha/beta hydrolase in apo form
Descriptor: alpha/beta hydrolase
Authors:Gao, J, Han, X, Zheng, Y.Y, Liu, W.D.
Deposit date:2020-08-25
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
8RRR
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BU of 8rrr by Molmil
Alpha-synuclein amyloid fibril
Descriptor: Alpha-synuclein
Authors:Saibil, H.R, Monistrol, J.
Deposit date:2024-01-23
Release date:2024-02-28
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Stepwise recruitment of Hsc70 by DNAJB1 produces ordered arrays primed for bursts of amyloid fibre disassembly
Biorxiv, 2024
4WCV
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BU of 4wcv by Molmil
Haloalkane dehalogenase DhaA mutant from Rhodococcus rhodochrous (T148L+G171Q+A172V+C176G)
Descriptor: ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ...
Authors:Holubeva, T, Prudnikova, T, Kuta-Smatanova, I, Rezacova, P.
Deposit date:2014-09-05
Release date:2014-10-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Balancing the stability-activity trade-off by fine-tuning dehalogenase access tunnels
Chemcatchem, 2015
1X37
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BU of 1x37 by Molmil
Structure of Bacillus subtilis Lon protease SSD domain
Descriptor: ATP-dependent protease La 1
Authors:Wang, I, Lou, Y.C, Lo, S.C, Lee, Y.L, Wu, S.H, Chen, C.
Deposit date:2005-04-30
Release date:2005-10-30
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural basis and DNA binding property of SSD domain of Bacillus subtilis Lon protease
to be published
6RZA
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BU of 6rza by Molmil
Cryo-EM structure of the human inner arm dynein DNAH7 microtubule binding domain bound to microtubules
Descriptor: Cytoplasmic dynein 1 heavy chain 1,Dynein heavy chain 7, axonemal,Cytoplasmic dynein 1 heavy chain 1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Lacey, S.E, He, S, Scheres, S.H.W, Carter, A.P.
Deposit date:2019-06-13
Release date:2019-07-10
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Cryo-EM of dynein microtubule-binding domains shows how an axonemal dynein distorts the microtubule.
Elife, 8, 2019
6XT8
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BU of 6xt8 by Molmil
Crystal structure of haloalkane dehalogenase variant DhaA115 domain-swapped dimer type-2
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Markova, K, Damborsky, J, Marek, M.
Deposit date:2020-01-15
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Computational Enzyme Stabilization Can Affect Folding Energy Landscapes and Lead to Catalytically Enhanced Domain-Swapped Dimers
Acs Catalysis, 11, 2021
6Y9F
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BU of 6y9f by Molmil
Crystal structure of putative ancestral haloalkane dehalogenase AncHLD3 (node 3)
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Ancestral haloalkane dehalogenase AncHLD3
Authors:Chaloupkova, R, Damborsky, J, Marek, M.
Deposit date:2020-03-09
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Structures of hyperstable ancestral haloalkane dehalogenases show restricted conformational dynamics.
Comput Struct Biotechnol J, 18, 2020
6YLR
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BU of 6ylr by Molmil
Translation initiation factor 4E in complex with bn7GpppG mRNA 5' cap analog
Descriptor: Eukaryotic translation initiation factor 4E, bn7GpppG mRNA 5' cap analog
Authors:Kubacka, D, Wojcik, R, Baranowski, M.R, Warminski, M, Kowalska, J, Jemielity, J.
Deposit date:2020-04-07
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1954546 Å)
Cite:Novel N7-Arylmethyl Substituted Dinucleotide mRNA 5' cap Analogs: Synthesis and Evaluation as Modulators of Translation.
Pharmaceutics, 13, 2021
6Y9G
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BU of 6y9g by Molmil
Crystal structure of putative ancestral haloalkane dehalogenase AncHLD5 (node 5)
Descriptor: Ancestral haloalkane dehalogenase AncHLD5
Authors:Chaloupkova, R, Damborsky, J, Marek, M.
Deposit date:2020-03-09
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.748 Å)
Cite:Structures of hyperstable ancestral haloalkane dehalogenases show restricted conformational dynamics.
Comput Struct Biotechnol J, 18, 2020
6YLV
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BU of 6ylv by Molmil
Translation initiation factor 4E in complex with 4-Cl-Bn7GpppG mRNA 5' cap analog
Descriptor: 4-Cl-Bn7GpppG mRNA 5' cap analog, Eukaryotic translation initiation factor 4E, GLYCEROL
Authors:Kubacka, D, Wojcik, R, Baranowski, M.R, Kowalska, J, Jemielity, J.
Deposit date:2020-04-07
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.66005659 Å)
Cite:Novel N7-Arylmethyl Substituted Dinucleotide mRNA 5' cap Analogs: Synthesis and Evaluation as Modulators of Translation.
Pharmaceutics, 13, 2021
6YN2
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BU of 6yn2 by Molmil
Crystal structure of Renilla reniformis luciferase variant RLuc8-W121F/E144Q in complex with a coelenteramide (the postcatalytic enzyme-product complex)
Descriptor: ACETATE ION, Coelenterazine h 2-monooxygenase, GLYCEROL, ...
Authors:Damborsky, J, Marek, M.
Deposit date:2020-04-10
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Engineering the protein dynamics of an ancestral luciferase.
Nat Commun, 12, 2021
6YLT
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BU of 6ylt by Molmil
Translation initiation factor 4E in complex with 3-MeBn7GpppG mRNA 5' cap analog
Descriptor: Eukaryotic translation initiation factor 4E, [[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-methylphenyl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
Authors:Kubacka, D, Wojcik, R, Baranowski, M.R, Kowalska, J, Jemielity, J.
Deposit date:2020-04-07
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Novel N7-Arylmethyl Substituted Dinucleotide mRNA 5' cap Analogs: Synthesis and Evaluation as Modulators of Translation.
Pharmaceutics, 13, 2021
6Y9E
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BU of 6y9e by Molmil
Crystal structure of putative ancestral haloalkane dehalogenase AncHLD2 (node 2)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Chaloupkova, R, Damborsky, J, Marek, M.
Deposit date:2020-03-09
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of hyperstable ancestral haloalkane dehalogenases show restricted conformational dynamics.
Comput Struct Biotechnol J, 18, 2020
6XTC
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BU of 6xtc by Molmil
Crystal structure of haloalkane dehalogenase variant DhaA177 domain-swapped dimer type-3
Descriptor: GLYCEROL, Haloalkane dehalogenase variant DhaA177 domain-swapped dimer type-3, SULFATE ION
Authors:Markova, K, Damborsky, J, Marek, M.
Deposit date:2020-01-16
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.543 Å)
Cite:Computational Enzyme Stabilization Can Affect Folding Energy Landscapes and Lead to Catalytically Enhanced Domain-Swapped Dimers
Acs Catalysis, 11, 2021
5LPX
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BU of 5lpx by Molmil
Crystal structure of PKC phosphorylation-mimicking mutant (S26E) Annexin A2
Descriptor: Annexin A2, CALCIUM ION, GLYCEROL
Authors:Ecsedi, P, Gogl, G, Kiss, B, Nyitray, L.
Deposit date:2016-08-15
Release date:2017-07-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Regulation of the Equilibrium between Closed and Open Conformations of Annexin A2 by N-Terminal Phosphorylation and S100A4-Binding.
Structure, 25, 2017
5LQ2
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BU of 5lq2 by Molmil
Crystal structure of Tyr24 phosphorylated Annexin A2 at 3.4 A resolution
Descriptor: Annexin A2, CALCIUM ION
Authors:Ecsedi, P, Gogl, G, Kiss, B, Nyitray, L.
Deposit date:2016-08-15
Release date:2017-07-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Regulation of the Equilibrium between Closed and Open Conformations of Annexin A2 by N-Terminal Phosphorylation and S100A4-Binding.
Structure, 25, 2017
7NDX
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BU of 7ndx by Molmil
Crystal structure of the human HSP40 DNAJB1-CTDs in complex with a peptide of NudC
Descriptor: 1,2-ETHANEDIOL, DnaJ homolog subfamily B member 1, Nuclear migration protein nudC
Authors:Delhommel, F, Zak, K.M, Popowicz, G.M, Sattler, M.
Deposit date:2021-02-02
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.541 Å)
Cite:NudC guides client transfer between the Hsp40/70 and Hsp90 chaperone systems.
Mol.Cell, 82, 2022

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數據於2024-09-04公開中

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