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2M5L
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BU of 2m5l by Molmil
Ns5a308
Descriptor: NS5A protein
Authors:Montserret, R, Badillo, A, Hanoulle, X, Lippens, G, Penin, F.
Deposit date:2013-02-27
Release date:2014-03-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ns5a308
To be Published
4IP3
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BU of 4ip3 by Molmil
Complex structure of OspI and Ubc13
Descriptor: ORF169b, Ubiquitin-conjugating enzyme E2 N
Authors:Fu, P, Jin, M, Zhang, X, Xu, L, Xia, Z, Zhu, Y.
Deposit date:2013-01-09
Release date:2013-03-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure Analysis of Ubc13 Inactivation
To be Published
4PEK
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BU of 4pek by Molmil
Crystal structure of a computationally designed retro-aldolase, RA114.3
Descriptor: Retro-aldolase
Authors:Bhabha, G, Zhang, X, Liu, Y, Ekiert, D.C.
Deposit date:2014-04-23
Release date:2015-04-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:De novo-designed enzymes as small-molecule-regulated fluorescence imaging tags and fluorescent reporters.
J.Am.Chem.Soc., 136, 2014
7VVS
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BU of 7vvs by Molmil
PLL9 induced TmFtn nanocage
Descriptor: FE (III) ION, Ferritin
Authors:Zhao, G, Zhang, X.
Deposit date:2021-11-08
Release date:2022-11-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:PLL9 induced TmFtn nanocage
To Be Published
4LDT
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BU of 4ldt by Molmil
The structure of h/ceOTUB1-ubiquitin aldehyde-UBCH5B~Ub
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Ubiquitin, ...
Authors:Wiener, R, DiBello, A.T, Lombardi, P.M, Guzzo, C.M, Zhang, X, Matunis, M.J, Wolberger, C.
Deposit date:2013-06-25
Release date:2013-08-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:E2 ubiquitin-conjugating enzymes regulate the deubiquitinating activity of OTUB1.
Nat.Struct.Mol.Biol., 20, 2013
4PEJ
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BU of 4pej by Molmil
Crystal structure of a computationally designed retro-aldolase, RA110.4 (Cys free)
Descriptor: Retro-aldolase
Authors:Bhabha, G, Zhang, X, Liu, Y, Ekiert, D.C.
Deposit date:2014-04-23
Release date:2015-04-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:De novo-designed enzymes as small-molecule-regulated fluorescence imaging tags and fluorescent reporters.
J.Am.Chem.Soc., 136, 2014
4JPN
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BU of 4jpn by Molmil
Bacteriophage phiX174 H protein residues 143-221
Descriptor: Minor spike protein H
Authors:Sun, L, Young, L.N, Boudko, S.B, Fokine, A, Zhang, X, Rossmann, M.G, Fane, B.A.
Deposit date:2013-03-19
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Icosahedral bacteriophage Phi X174 forms a tail for DNA transport during infection.
Nature, 505, 2014
4JPP
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BU of 4jpp by Molmil
Bacteriophage phiX174 H protein residues 143-282
Descriptor: Minor spike protein H
Authors:Sun, L, Young, L.N, Boudko, S.B, Fokine, A, Zhang, X, Rossmann, M.G, Fane, B.A.
Deposit date:2013-03-19
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Icosahedral bacteriophage Phi X174 forms a tail for DNA transport during infection.
Nature, 505, 2014
4M8M
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BU of 4m8m by Molmil
Crystal structure of the active dimer of zebrafish PlexinC1 cytoplasmic region
Descriptor: GCN4 coiled-coil fused zebrafish PlexinC1
Authors:Wang, Y, Pascoe, H.G, Zhang, X.
Deposit date:2013-08-13
Release date:2013-10-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.307 Å)
Cite:Structural basis for activation and non-canonical catalysis of the Rap GTPase activating protein domain of plexin.
Elife, 2, 2013
4OU1
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BU of 4ou1 by Molmil
Crystal structure of a computationally designed retro-aldolase covalently bound to folding probe 1 [(6-methoxynaphthalen-2-yl)(oxiran-2-yl)methanol]
Descriptor: (1S,2S)-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol, BENZOIC ACID, PHOSPHATE ION, ...
Authors:Bhabha, G, Zhang, X, Ekiert, D.C.
Deposit date:2014-02-14
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Small molecule probes to quantify the functional fraction of a specific protein in a cell with minimal folding equilibrium shifts.
Proc.Natl.Acad.Sci.USA, 111, 2014
7D7E
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BU of 7d7e by Molmil
Structure of PKD1L3-CTD/PKD2L1 in apo state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Polycystic kidney disease 2-like 1 protein, ...
Authors:Su, Q, Chen, M, Li, B, Wang, Y, Jing, D, Zhan, X, Yu, Y, Shi, Y.
Deposit date:2020-10-03
Release date:2021-08-25
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for Ca 2+ activation of the heteromeric PKD1L3/PKD2L1 channel.
Nat Commun, 12, 2021
4MGG
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BU of 4mgg by Molmil
Crystal structure of an enolase (mandelate racemase subgroup) from labrenzia aggregata iam 12614 (target nysgrc-012903) with bound mg, space group p212121
Descriptor: CHLORIDE ION, MAGNESIUM ION, Muconate lactonizing enzyme, ...
Authors:Vetting, M.W, Zhang, X, Wasserman, S.R, Morisco, L.L, Sojitra, S, Bonanno, J.B, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-08-28
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of an enolase (mandelate racemase subgroup) from labrenzia aggregata iam 12614 (target nysgrc-012903) with bound mg, space group p212121
To be Published
8XFD
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BU of 8xfd by Molmil
Crystal structure of pyruvate kinase tetramer in complex with allosteric activator, Mitapivat (MTPV, AG-348)
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, Isoform L-type of Pyruvate kinase PKLR, MAGNESIUM ION, ...
Authors:Sun, R, Achour, A.
Deposit date:2023-12-13
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:High Resolution Crystal Structure of the Pyruvate Kinase Tetramer in Complex with the Allosteric Activator Mitapivat/AG-348
Crystals, 2024
5JRH
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BU of 5jrh by Molmil
Crystal structure of Salmonella enterica acetyl-CoA synthetase (Acs) in complex with cAMP and Coenzyme A
Descriptor: (R,R)-2,3-BUTANEDIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Acetyl-coenzyme A synthetase, ...
Authors:Shen, L, Zhang, Y.
Deposit date:2016-05-06
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.644 Å)
Cite:Cyclic AMP Inhibits the Activity and Promotes the Acetylation of Acetyl-CoA Synthetase through Competitive Binding to the ATP/AMP Pocket.
J. Biol. Chem., 292, 2017
6IM6
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BU of 6im6 by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: 1,2-ETHANEDIOL, 7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ...
Authors:Zhang, X.L, Su, H.X, Xu, Y.C.
Deposit date:2018-10-22
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IMT
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BU of 6imt by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: (1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Zhang, X.L, Su, H.X, Xu, Y.C.
Deposit date:2018-10-23
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.483 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
5XGR
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BU of 5xgr by Molmil
Structure of the S1 subunit C-terminal domain from bat-derived coronavirus HKU5 spike protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1
Authors:Xue, H, Qi, J, Song, H, Qihui, W, Shi, Y, Gao, G.F.
Deposit date:2017-04-16
Release date:2017-05-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the S1 subunit C-terminal domain from bat-derived coronavirus HKU5 spike protein
Virology, 507, 2017
6FPG
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BU of 6fpg by Molmil
Structure of the Ustilago maydis chorismate mutase 1 in complex with a Zea mays kiwellin
Descriptor: CITRIC ACID, Chromosome 16, whole genome shotgun sequence, ...
Authors:Altegoer, F, Steinchen, W, Bange, G.
Deposit date:2018-02-09
Release date:2019-01-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A kiwellin disarms the metabolic activity of a secreted fungal virulence factor.
Nature, 565, 2019
6HJW
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BU of 6hjw by Molmil
Crystal structure of the chloroplast chorismate mutase from Zea mays
Descriptor: Chorismate mutase, TYROSINE
Authors:Altegoer, F, Bange, G.
Deposit date:2018-09-04
Release date:2019-01-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A kiwellin disarms the metabolic activity of a secreted fungal virulence factor.
Nature, 565, 2019
6H3P
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BU of 6h3p by Molmil
Crystal structure of the cytoplasmic chorismate mutase from Zea mays
Descriptor: Chorismate mutase
Authors:Altegoer, F, Bange, G.
Deposit date:2018-07-19
Release date:2019-01-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A kiwellin disarms the metabolic activity of a secreted fungal virulence factor.
Nature, 565, 2019
6FPF
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BU of 6fpf by Molmil
Structure of the Ustilago maydis chorismate mutase 1
Descriptor: Chromosome 16, whole genome shotgun sequence, MANGANESE (II) ION
Authors:Altegoer, F, Steinchen, W, Bange, G.
Deposit date:2018-02-09
Release date:2019-01-16
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A kiwellin disarms the metabolic activity of a secreted fungal virulence factor.
Nature, 565, 2019
5XS2
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BU of 5xs2 by Molmil
CDK8-CYCC IN COMPLEX WITH COMPOUND 17:3-chloro-4-(4-pyridyl)-1H-pyrrole-2-carboxamide
Descriptor: 3-chloranyl-4-pyridin-4-yl-1H-pyrrole-2-carboxamide, Cyclin-C, Cyclin-dependent kinase 8, ...
Authors:Zhou, Z, Xu, Z.
Deposit date:2017-06-12
Release date:2017-08-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery of potent and selective CDK8 inhibitors through FBDD approach
Bioorg. Med. Chem. Lett., 27, 2017
5XQX
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BU of 5xqx by Molmil
Human CDK8-CYCC in complex with compound 4: N-methyl-4-(4-pyridyl)-1H-pyrrole-2-carboxamide
Descriptor: Cyclin-C, Cyclin-dependent kinase 8, GLYCEROL, ...
Authors:Zhou, Z, Xu, Z.H.
Deposit date:2017-06-07
Release date:2017-08-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of potent and selective CDK8 inhibitors through FBDD approach
Bioorg. Med. Chem. Lett., 27, 2017
1DYB
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BU of 1dyb by Molmil
DETERMINATION OF ALPHA-HELIX PROPENSITY WITHIN THE CONTEXT OF A FOLDED PROTEIN: SITES 44 AND 131 IN BACTERIOPHAGE T4 LYSOZYME
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME
Authors:Zhang, X, Matthews, B.W.
Deposit date:1993-05-13
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Determination of alpha-helix propensity within the context of a folded protein. Sites 44 and 131 in bacteriophage T4 lysozyme.
J.Mol.Biol., 235, 1994
1DYE
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BU of 1dye by Molmil
DETERMINATION OF ALPHA-HELIX PROPENSITY WITHIN THE CONTEXT OF A FOLDED PROTEIN: SITES 44 AND 131 IN BACTERIOPHAGE T4 LYSOZYME
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME
Authors:Zhang, X, Matthews, B.W.
Deposit date:1993-05-13
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Determination of alpha-helix propensity within the context of a folded protein. Sites 44 and 131 in bacteriophage T4 lysozyme.
J.Mol.Biol., 235, 1994

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