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2MT7
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BU of 2mt7 by Molmil
Solution structure of spider-venom peptide Hs1a
Descriptor: Hs1a
Authors:Klint, J.K, King, G.F, Mobli, M.
Deposit date:2014-08-14
Release date:2015-08-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Nav1.7 inhibitors normalise mechanical responses in chronic visceral hypersensitivity
To be Published
4I7A
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BU of 4i7a by Molmil
GrpN pentameric microcompartment shell protein from Rhodospirillum rubrum
Descriptor: CHLORIDE ION, Ethanolamine utilization protein EutN/carboxysome structural protein Ccml
Authors:Wheatley, N.M, Gidaniyan, S.D, Cascio, D, Yeates, T.O.
Deposit date:2012-11-30
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Bacterial microcompartment shells of diverse functional types possess pentameric vertex proteins.
Protein Sci., 22, 2013
6M2B
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BU of 6m2b by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416
Descriptor: 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Zhu, L, Li, H.
Deposit date:2020-02-27
Release date:2021-03-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Novel and potent inhibitors targeting DHODH are broad-spectrum antivirals against RNA viruses including newly-emerged coronavirus SARS-CoV-2.
Protein Cell, 11, 2020
5YTX
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BU of 5ytx by Molmil
Crystal structure of YB1 cold-shock domain in complex with UCAACU
Descriptor: Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*UP*CP*AP*AP*CP*U)-3')
Authors:Yang, X, Huang, Y.
Deposit date:2017-11-20
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Crystal structure of a Y-box binding protein 1 (YB-1)-RNA complex reveals key features and residues interacting with RNA.
J.Biol.Chem., 294, 2019
5YTT
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BU of 5ytt by Molmil
Crystal structure of YB1 cold-shock domain in complex with UCAUGU
Descriptor: Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*UP*CP*AP*UP*GP*U)-3'), SULFATE ION
Authors:Yang, X, Huang, Y.
Deposit date:2017-11-20
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of a Y-box binding protein 1 (YB-1)-RNA complex reveals key features and residues interacting with RNA.
J.Biol.Chem., 294, 2019
5YTV
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BU of 5ytv by Molmil
Crystal structure of YB1 cold-shock domain in complex with UCAUCU
Descriptor: Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*UP*CP*AP*UP*CP*U)-3')
Authors:Yang, X, Huang, Y.
Deposit date:2017-11-20
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a Y-box binding protein 1 (YB-1)-RNA complex reveals key features and residues interacting with RNA.
J.Biol.Chem., 294, 2019
5YTS
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BU of 5yts by Molmil
Crystal structure of YB1 cold-shock domain in complex with UCUUCU
Descriptor: Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*CP*UP*UP*C)-3'), SULFATE ION
Authors:Yang, X, Huang, Y.
Deposit date:2017-11-20
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of a Y-box binding protein 1 (YB-1)-RNA complex reveals key features and residues interacting with RNA.
J.Biol.Chem., 294, 2019
7XPY
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BU of 7xpy by Molmil
Crystal structure of USP7 in complex with its inhibitor
Descriptor: Ubiquitin carboxyl-terminal hydrolase 7, [(3S,3aR,4R,6Z,9S,10E,11aR)-9-acetyloxy-6-(acetyloxymethyl)-3,10-dimethyl-2-oxidanylidene-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-4-yl] (E)-2-methyl-4-oxidanyl-but-2-enoate
Authors:Feng, N, Zeng, K.W.
Deposit date:2022-05-06
Release date:2022-08-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Neuroinflammation inhibition by small-molecule targeting USP7 noncatalytic domain for neurodegenerative disease therapy.
Sci Adv, 8, 2022
3C17
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BU of 3c17 by Molmil
Hexagonal Crystal Structure of Precursor E. coli Isoaspartyl Peptidase/l-Asparaginase (ECAIII) with Active-site T179A mutation
Descriptor: CHLORIDE ION, L-asparaginase precursor, SODIUM ION
Authors:Michalska, K, Hernandez-Santoyo, A, Jaskolski, M.
Deposit date:2008-01-22
Release date:2008-04-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Mechanism of Autocatalytic Activation of Plant-type L-Asparaginases
J.Biol.Chem., 283, 2008
6M1S
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BU of 6m1s by Molmil
The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12o
Descriptor: 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid, CHLORIDE ION, DNA gyrase subunit B, ...
Authors:Xu, Z.H, Zhou, Z.
Deposit date:2020-02-26
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.254 Å)
Cite:Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
6M1J
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BU of 6m1j by Molmil
The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12x
Descriptor: 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid, DIMETHYL SULFOXIDE, DNA gyrase subunit B, ...
Authors:Xu, Z.H, Zhou, Z.
Deposit date:2020-02-26
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
7FBT
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BU of 7fbt by Molmil
Crystal structure of chitinase (RmChi1) from Rhizomucor miehei (sp p32 2 1, MR)
Descriptor: Chitinase, MAGNESIUM ION
Authors:Jiang, Z.Q, Hu, S.Q, Zhu, Q, Liu, Y.C, Ma, J.W, Yan, Q.J, Gao, Y.G, Yang, S.Q.
Deposit date:2021-07-12
Release date:2021-08-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a chitinase (RmChiA) from the thermophilic fungus Rhizomucor miehei with a real active site tunnel.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
5VY6
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BU of 5vy6 by Molmil
A self-assembling D-form DNA crystal lattice
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*CP*A)-3'), ...
Authors:Simmons, C.R, Yan, H.
Deposit date:2017-05-24
Release date:2017-08-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.064 Å)
Cite:Tuning the Cavity Size and Chirality of Self-Assembling 3D DNA Crystals.
J. Am. Chem. Soc., 139, 2017
5VOX
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BU of 5vox by Molmil
Yeast V-ATPase in complex with Legionella pneumophila effector SidK (rotational state 1)
Descriptor: V-type proton ATPase catalytic subunit A,V-type proton ATPase catalytic subunit A, V-type proton ATPase subunit B, V-type proton ATPase subunit C, ...
Authors:Zhao, J.
Deposit date:2017-05-03
Release date:2017-06-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (6.8 Å)
Cite:Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
5VY7
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BU of 5vy7 by Molmil
A self-assembling L-form DNA crystal lattice
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*CP*A)-3'), ...
Authors:Simmons, C.R, Yan, H.
Deposit date:2017-05-24
Release date:2017-08-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Tuning the Cavity Size and Chirality of Self-Assembling 3D DNA Crystals.
J. Am. Chem. Soc., 139, 2017
5VOY
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BU of 5voy by Molmil
Yeast V-ATPase in complex with Legionella pneumophila effector SidK (rotational state 2)
Descriptor: V-type proton ATPase catalytic subunit A,V-type proton ATPase catalytic subunit A, V-type proton ATPase subunit B, V-type proton ATPase subunit C, ...
Authors:Zhao, J.
Deposit date:2017-05-03
Release date:2017-06-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (7.9 Å)
Cite:Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
6A58
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BU of 6a58 by Molmil
Structure of histone demethylase REF6
Descriptor: Lysine-specific demethylase REF6, ZINC ION
Authors:Tian, Z, Chen, Z.
Deposit date:2018-06-22
Release date:2019-06-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystal structures of REF6 and its complex with DNA reveal diverse recognition mechanisms.
Cell Discov, 6, 2020
5WOP
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BU of 5wop by Molmil
High Resolution Structure of Mutant CA09-PB2cap
Descriptor: GLYCEROL, Polymerase PB2
Authors:Constantinides, A.E, Gumpper, R.H, Severin, C, Luo, M.
Deposit date:2017-08-02
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:High-resolution structure of the Influenza A virus PB2cap binding domain illuminates the changes induced by ligand binding.
Acta Crystallogr F Struct Biol Commun, 74, 2018
4NPY
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BU of 4npy by Molmil
Crystal structure of germline Fab PGT121, a putative precursor of the broadly reactive and potent HIV-1 neutralizing antibody
Descriptor: GLYCEROL, germline PGT121 heavy chain, germline PGT121 light chain
Authors:Julien, J.-P, Diwanji, D.C, Wilson, I.A.
Deposit date:2013-11-22
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:The Effects of Somatic Hypermutation on Neutralization and Binding in the PGT121 Family of Broadly Neutralizing HIV Antibodies.
Plos Pathog., 9, 2013
6A72
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BU of 6a72 by Molmil
Copper transporter protein
Descriptor: ATP7B protein, CALCIUM ION, dioxo(di-mu-sulfide)dimolybdenum
Authors:Chen, W.B.
Deposit date:2018-07-01
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Tetrathiomolybdate induces dimerization of the metal-binding domain of ATPase and inhibits platination of the protein.
Nat Commun, 10, 2019
5X80
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BU of 5x80 by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MARR FAMILY PROTEIN RV2887 COMPLEX WITH SALICYLIC ACID
Descriptor: 2-HYDROXYBENZOIC ACID, SULFATE ION, Uncharacterized HTH-type transcriptional regulator Rv2887
Authors:Gao, Y.R, Li, D.F, Wang, D.C, Bi, L.J.
Deposit date:2017-02-28
Release date:2017-08-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural analysis of the regulatory mechanism of MarR protein Rv2887 in M. tuberculosis
Sci Rep, 7, 2017
5X88
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BU of 5x88 by Molmil
A crystal structure of cutinases from Malbranchea cinnamomea
Descriptor: cutinase
Authors:Jiang, Z, Yang, S.Q, You, X, Huang, P, Ma, J.W.
Deposit date:2017-03-01
Release date:2018-01-31
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:High-level expression and characterization of a novel cutinase from Malbranchea cinnamomea suitable for butyl butyrate production.
Biotechnol Biofuels, 10, 2017
6A59
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BU of 6a59 by Molmil
Structure of histone demethylase REF6 at 1.8A
Descriptor: Lysine-specific demethylase REF6, ZINC ION
Authors:Tian, Z, Chen, Z.
Deposit date:2018-06-22
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structures of REF6 and its complex with DNA reveal diverse recognition mechanisms.
Cell Discov, 6, 2020
6A71
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BU of 6a71 by Molmil
Crystal Structure of Human ATP7B and TM Complex
Descriptor: ATP7B protein, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Chen, W.B.
Deposit date:2018-06-30
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Tetrathiomolybdate induces dimerization of the metal-binding domain of ATPase and inhibits platination of the protein.
Nat Commun, 10, 2019
4POT
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BU of 4pot by Molmil
Structure of Human Polyomavirus 9 VP1 pentamer in complex with N-glycolylneuraminic acid containing 3'-sialyllactosamine
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, ISOPROPYL ALCOHOL, ...
Authors:Khan, Z.M, Stehle, T.
Deposit date:2014-02-26
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic and glycan microarray analysis of human polyomavirus 9 VP1 identifies N-glycolyl neuraminic acid as a receptor candidate.
J.Virol., 88, 2014

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數據於2024-07-24公開中

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