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4QKS
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BU of 4qks by Molmil
Crystal Structure of 6xTrp/PV2: de novo designed beta-trefoil architecture with symmetric primary structure (L22W/L44W/L64W/L85W/L108W/L132W his Primitive Version 2)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DE NOVO PROTEIN 6XTRP/PV2, SULFATE ION
Authors:Longo, L.M, Tenorio, C.A, Blaber, M.
Deposit date:2014-06-09
Release date:2015-01-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A single aromatic core mutation converts a designed "primitive" protein from halophile to mesophile folding.
Protein Sci., 24, 2015
4RG7
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BU of 4rg7 by Molmil
Crystal structure of APC3
Descriptor: Cell division cycle protein 27 homolog
Authors:Yamaguchi, M, Yu, S, Miller, D.J, Schulman, B.A.
Deposit date:2014-09-29
Release date:2014-12-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (4.25 Å)
Cite:Structure of an APC3-APC16 Complex: Insights into Assembly of the Anaphase-Promoting Complex/Cyclosome.
J.Mol.Biol., 427, 2015
4RCH
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BU of 4rch by Molmil
Discovery of 2-Pyridyl Ureas as Glucokinase Activators
Descriptor: 1-{3-[(2-ethylpyridin-3-yl)oxy]-5-(pyridin-2-ylsulfanyl)pyridin-2-yl}-3-methylurea, Glucokinase, alpha-D-glucopyranose
Authors:Voegtli, W, Vigers, G.P.A.
Deposit date:2014-09-16
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 2-pyridylureas as glucokinase activators.
J.Med.Chem., 57, 2014
4RG6
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BU of 4rg6 by Molmil
Crystal structure of APC3-APC16 complex
Descriptor: Anaphase-promoting complex subunit 16, Cell division cycle protein 27 homolog
Authors:Yamaguchi, M, Yu, S, Miller, D.J, Schulman, B.A.
Deposit date:2014-09-29
Release date:2014-12-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of an APC3-APC16 Complex: Insights into Assembly of the Anaphase-Promoting Complex/Cyclosome.
J.Mol.Biol., 427, 2015
4QRM
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BU of 4qrm by Molmil
crystal structure of a binary complex of FliM-FliG middle domains from T.maritima
Descriptor: Flagellar motor switch protein FliG, Flagellar motor switch protein FliM
Authors:Crane, B.R, Sircar, R.
Deposit date:2014-07-01
Release date:2015-06-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (4.315 Å)
Cite:Assembly states of FliM and FliG within the flagellar switch complex.
J.Mol.Biol., 427, 2015
4RG9
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BU of 4rg9 by Molmil
Crystal structure of APC3-APC16 complex (Selenomethionine Derivative)
Descriptor: Anaphase-promoting complex subunit 16, Cell division cycle protein 27 homolog
Authors:Yamaguchi, M, Yu, S, Miller, D.J, Schulman, B.A.
Deposit date:2014-09-29
Release date:2014-12-24
Last modified:2017-08-02
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure of an APC3-APC16 Complex: Insights into Assembly of the Anaphase-Promoting Complex/Cyclosome.
J.Mol.Biol., 427, 2015
4RCP
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BU of 4rcp by Molmil
Crystal structure of Plk1 Polo-box domain in complex with PL-2
Descriptor: 1,2-ETHANEDIOL, PL-2, Serine/threonine-protein kinase PLK1
Authors:Lee, W.C, Song, J.H, Kim, H.Y.
Deposit date:2014-09-16
Release date:2014-11-12
Last modified:2015-01-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A new class of peptidomimetics targeting the polo-box domain of polo-like kinase 1.
J.Med.Chem., 58, 2015
4RW2
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BU of 4rw2 by Molmil
Hen egg-white lysozyme structure from a spent-beam experiment at LCLS: refocused beam
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Boutet, S, Foucar, L, Barends, T, Doak, R.B, Koglin, J.E, Messerschmidt, M, Nass, K, Schlichting, I, Shoeman, R, Williams, G.J.
Deposit date:2014-12-01
Release date:2015-05-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Characterization and use of the spent beam for serial operation of LCLS.
J.SYNCHROTRON RADIAT., 22, 2015
4TKS
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BU of 4tks by Molmil
Native-SAD phasing for human EGFR kinase domain.
Descriptor: Epidermal growth factor receptor
Authors:Cai, Z, Greene, M.I, Liu, Q.
Deposit date:2014-05-27
Release date:2014-10-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.2017 Å)
Cite:Multi-crystal native SAD analysis at 6 keV.
Acta Crystallogr.,Sect.D, 70, 2014
4TKR
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BU of 4tkr by Molmil
Native-SAD phasing for ThiT from Listeria monocytogenes serovar.
Descriptor: 2-O-octyl-beta-D-glucopyranose, THIAMINE DIPHOSPHATE, Thiamine transporter thia
Authors:Guo, Y, Liu, Q, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2014-05-27
Release date:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.0023 Å)
Cite:Multi-crystal native SAD analysis at 6 keV.
Acta Crystallogr.,Sect.D, 70, 2014
4TKQ
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BU of 4tkq by Molmil
Native-SAD phasing for YetJ from Bacillus Subtilis
Descriptor: CALCIUM ION, CHLORIDE ION, Uncharacterized protein YetJ
Authors:Liu, Q, Chang, Y, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2014-05-27
Release date:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8025 Å)
Cite:Multi-crystal native SAD analysis at 6 keV.
Acta Crystallogr.,Sect.D, 70, 2014
4TXY
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BU of 4txy by Molmil
Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase, a prokaryotic cGAS homolog
Descriptor: Cyclic AMP-GMP synthase, MAGNESIUM ION
Authors:Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A.
Deposit date:2014-07-07
Release date:2014-08-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.0001 Å)
Cite:Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity.
Cell, 158, 2014
4U4S
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BU of 4u4s by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM25 at 1.90 A resolution.
Descriptor: 4-ethyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide, ACETATE ION, CHLORIDE ION, ...
Authors:Noerholm, A.B, Deva, T, Frydenvang, K, Kastrup, J.S.
Deposit date:2014-07-24
Release date:2014-11-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Positive Allosteric Modulators of 2-Amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic Acid Receptors Belonging to 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-pyridothiadiazine Dioxides and Diversely Chloro-Substituted 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides.
J.Med.Chem., 57, 2014
4U4X
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BU of 4u4x by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM37 at 1.56 A resolution.
Descriptor: 4-ethyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Noerholm, A.B, Frydenvang, K, Kastrup, J.S.
Deposit date:2014-07-24
Release date:2014-11-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Positive Allosteric Modulators of 2-Amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic Acid Receptors Belonging to 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-pyridothiadiazine Dioxides and Diversely Chloro-Substituted 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides.
J.Med.Chem., 57, 2014
4TY0
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BU of 4ty0 by Molmil
Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase in complex with linear intermediate 5' pppA(3',5')pG
Descriptor: ACETATE ION, Cyclic AMP-GMP synthase, MAGNESIUM ION, ...
Authors:Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A.
Deposit date:2014-07-07
Release date:2014-08-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity.
Cell, 158, 2014
4TXZ
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BU of 4txz by Molmil
Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase in complex with nonhydrolyzable GTP
Descriptor: Cyclic AMP-GMP synthase, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
Authors:Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A.
Deposit date:2014-07-07
Release date:2014-08-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity.
Cell, 158, 2014
6OJR
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BU of 6ojr by Molmil
Crystal structure of Sphingomonas paucimobilis TMY1009 apo-LsdA
Descriptor: GLYCEROL, Lignostilbene-alpha,beta-dioxygenase isozyme I, MAGNESIUM ION
Authors:Kuatsjah, E, Verstraete, M.M, Kobylarz, M.J, Liu, A.K.N, Murphy, M.E.P, Eltis, L.D.
Deposit date:2019-04-12
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of functionally important residues and structural features in a bacterial lignostilbene dioxygenase.
J.Biol.Chem., 294, 2019
7S4B
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BU of 7s4b by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z1530724963
Descriptor: (2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propanamide, 3C-like proteinase
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2021-09-08
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor.
Acs Pharmacol Transl Sci, 5, 2022
7S3S
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BU of 7s3s by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z1530724813
Descriptor: 2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide, 3C-like proteinase
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2021-09-08
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor.
Acs Pharmacol Transl Sci, 5, 2022
7S3K
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BU of 7s3k by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z1530718726
Descriptor: 2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl)acetamide, 3C-like proteinase
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2021-09-07
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor.
Acs Pharmacol Transl Sci, 5, 2022
6I37
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BU of 6i37 by Molmil
Crystal structure of nv1Pizza6-AYW, a circularly permuted designer protein
Descriptor: SULFATE ION, nv1Pizza6-AYW
Authors:Mylemans, B, Noguchi, H, Deridder, E, Voet, A.R.D.
Deposit date:2018-11-05
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Influence of circular permutations on the structure and stability of a six-fold circular symmetric designer protein.
Protein Sci., 2020
6I39
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BU of 6i39 by Molmil
Crystal structure of v31Pizza6-AYW, a circularly permuted designer protein
Descriptor: MAGNESIUM ION, v31Pizza6-AYW
Authors:Mylemans, B, Noguchi, H, Deridder, E, Voet, A.R.D.
Deposit date:2018-11-05
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Influence of circular permutations on the structure and stability of a six-fold circular symmetric designer protein.
Protein Sci., 2020
7S04
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BU of 7s04 by Molmil
1-deoxy-D-xylulose 5-phosphate reductoisomerase (IspC) from Acinetobacter baumannii in complex with FR900098, NADPH, and a magnesium ion
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[ethanoyl(hydroxy)amino]propylphosphonic acid, MAGNESIUM ION, ...
Authors:Noble, S.M, Ball, H.S, Couch, R.D.
Deposit date:2021-08-28
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Characterization and Inhibition of 1-Deoxy-d-Xylulose 5-Phosphate Reductoisomerase: A Promising Drug Target in Acinetobacter baumannii and Klebsiella pneumoniae .
Acs Infect Dis., 7, 2021
2GDG
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BU of 2gdg by Molmil
Crystal structure of covalently modified macrophage inhibitory factor
Descriptor: Macrophage migration inhibitory factor
Authors:Golubkov, P.A, Hackert, M.L.
Deposit date:2006-03-16
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Inactivation of the phenylpyruvate tautomerase activity of macrophage migration inhibitory factor by 2-oxo-4-phenyl-3-butynoate.
Bioorg.Chem., 34, 2006
2GFX
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BU of 2gfx by Molmil
Structure of E. coli FabF(C163Q) in complex with Platensimycin
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, PLATENSIMYCIN
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2006-03-23
Release date:2006-05-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Platensimycin is a selective FabF inhibitor with potent antibiotic properties.
Nature, 441, 2006

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数据于2024-07-17公开中

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