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6GG3
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BU of 6gg3 by Molmil
Crystal structure of M2 PYK in complex with Alanine.
Descriptor: ALANINE, PHOSPHATE ION, Pyruvate kinase PKM
Authors:McNae, I.W, Yuan, M, Walkinshaw, M.D.
Deposit date:2018-05-02
Release date:2019-09-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.72 Å)
Cite:An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor.
Biochem.J., 475, 2018
6XPC
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BU of 6xpc by Molmil
Structure of human GGT1 in complex with full GSH molecule
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTATHIONE, ...
Authors:Terzyan, S.S, Hanigan, M.
Deposit date:2020-07-08
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structures of glutathione- and inhibitor-bound human GGT1: critical interactions within the cysteinylglycine binding site.
J.Biol.Chem., 296, 2020
7K7C
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BU of 7k7c by Molmil
Crystal structure of diphtheria toxin from crystals obtained at pH 5.5
Descriptor: Diphtheria toxin
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Rodnin, M.V, Ladokhin, A.S.
Deposit date:2020-09-22
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of the Diphtheria Toxin at Acidic pH: Implications for the Conformational Switching of the Translocation Domain.
Toxins, 12, 2020
6XWM
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BU of 6xwm by Molmil
Mechanism of substrate release in neurotransmitter:sodium symporters: the structure of LeuT in an inward-facing occluded conformation
Descriptor: Na(+):neurotransmitter symporter (Snf family), PHENYLALANINE, SODIUM ION
Authors:Boesen, T, Nissen, P, Gotfryd, K, Loland, C.J, Gether, U.
Deposit date:2020-01-24
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:X-ray structure of LeuT in an inward-facing occluded conformation reveals mechanism of substrate release.
Nat Commun, 11, 2020
7K84
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BU of 7k84 by Molmil
Crystal structure of BoNT/E LC-HN domain in complex with VHH JLE-E5
Descriptor: Botulinum neurotoxin type E, JLE-E5, SULFATE ION, ...
Authors:Lam, K, Jin, R.
Deposit date:2020-09-25
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Two VHH Antibodies Neutralize Botulinum Neurotoxin E1 by Blocking Its Membrane Translocation in Host Cells.
Toxins, 12, 2020
6XX5
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BU of 6xx5 by Molmil
Crystal structure of the c-Src SH3 domain H122R-Q128K mutant in complex with Ni(II) at pH 7.5 co-crystallized with methyl beta-cyclodextrin
Descriptor: Cyclic 2,3-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-2,6-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-3-O-methyl-alpha-D-glucopyranose, NICKEL (II) ION, Proto-oncogene tyrosine-protein kinase Src
Authors:Camara-Artigas, A.
Deposit date:2020-01-26
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The effect of an engineered ATCUN motif on the structure and biophysical properties of the SH3 domain of c-Src tyrosine kinase.
J.Biol.Inorg.Chem., 25, 2020
5HPQ
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BU of 5hpq by Molmil
Crystal structure of cyclohexadienyl dehydratase from Pseudomonas aeruginosa bound to acetate
Descriptor: ACETATE ION, Cyclohexadienyl dehydratase
Authors:Clifton, B.E, Carr, P.D, Jackson, C.J.
Deposit date:2016-01-20
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of cyclohexadienyl dehydratase from Pseudomonas aeruginosa bound to acetate
To Be Published
8BF4
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BU of 8bf4 by Molmil
Crystal structure of Mouse Plexin-B1 (20-535) in complex with VHH15 and VHH14
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Cowan, R, Hall, G, Carr, M.
Deposit date:2022-10-24
Release date:2023-05-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Nanobody inhibitors of Plexin-B1 identify allostery in plexin-semaphorin interactions and signaling.
J.Biol.Chem., 299, 2023
6XXC
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BU of 6xxc by Molmil
Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 4
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Estrogen Related Receptor gamma phosphopeptide, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2020-01-27
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
6I7K
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BU of 6i7k by Molmil
Crystal structure of monomeric FICD mutant L258D complexed with MgATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Adenosine monophosphate-protein transferase FICD, ETHANOL, ...
Authors:Perera, L.A, Yan, Y, Read, R.J, Ron, D.
Deposit date:2018-11-16
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:An oligomeric state-dependent switch in the ER enzyme FICD regulates AMPylation and deAMPylation of BiP.
Embo J., 38, 2019
8BRQ
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BU of 8brq by Molmil
Crystal structure of a surface entropy reduction variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231
Descriptor: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R.
Deposit date:2022-11-23
Release date:2023-05-03
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency
Cryst.Growth Des., 2023
6DOD
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BU of 6dod by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM K+ for 360 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:2024-03-13
Method:X-RAY DIFFRACTION (1.535 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
6I7U
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BU of 6i7u by Molmil
Alpha-1-antitrypsin (Ala250Met) in the native conformation
Descriptor: Alpha-1-antitrypsin
Authors:Aldobiyan, I, Lomas, D.A, Irving, J.A.
Deposit date:2018-11-19
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural determinants of instability in alpha-1-antitrypsin
To Be Published
6GU4
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BU of 6gu4 by Molmil
CDK1/CyclinB/Cks2 in complex with CGP74514A
Descriptor: Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ...
Authors:Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P.
Deposit date:2018-06-19
Release date:2018-12-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
6DOP
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BU of 6dop by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM K+ for 120 s at 21 C (dataset 1)
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 (1.25 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
6XY6
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BU of 6xy6 by Molmil
Structural insight into sheep-pox virus mediated inhibition of apoptosis
Descriptor: Apoptosis regulator BAX, anti-apoptotic membrane protein
Authors:Suraweera, C.D, Hinds, M.G, Kvansakul, M.
Deposit date:2020-01-29
Release date:2020-07-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.91414642 Å)
Cite:Crystal structures of the sheeppox virus encoded inhibitor of apoptosis SPPV14 bound to the proapoptotic BH3 peptides Hrk and Bax.
Febs Lett., 594, 2020
6XZ6
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BU of 6xz6 by Molmil
Structure of the trypanosome brucei factor H receptor bound to domain D5 of bovine factor H
Descriptor: Complement factor H, GARP domain-containing protein
Authors:Macleod, O.J.S, Carrington, M, Higgins, M.K.
Deposit date:2020-02-02
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A receptor for the complement regulator factor H increases transmission of trypanosomes to tsetse flies.
Nat Commun, 11, 2020
6GUH
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BU of 6guh by Molmil
CDK2 in complex with AZD5438
Descriptor: 1,2-ETHANEDIOL, 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-dependent kinase 2
Authors:Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P.
Deposit date:2018-06-19
Release date:2018-12-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
5VTE
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BU of 5vte by Molmil
Hetero antiparallel coiled coil hexamer formed by de novo peptides
Descriptor: de novo peptide 1, de novo peptide 2
Authors:Spencer, R.K, Hochbaum, A.I.
Deposit date:2017-05-16
Release date:2017-10-04
Last modified:2022-12-14
Method:X-RAY DIFFRACTION (2.023 Å)
Cite:The Phe-Ile Zipper: A Specific Interaction Motif Drives Antiparallel Coiled-Coil Hexamer Formation.
Biochemistry, 56, 2017
6OUB
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BU of 6oub by Molmil
Carbonic Anhydrase II complexed with benzene sulfonamide MB11-694B
Descriptor: 4-{[(2-hydroxyethyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Kota, A, McKenna, R.
Deposit date:2019-05-04
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.418 Å)
Cite:Carbonic Anhydrase II complexed with ureido benzene sulfonamide MB11-694B
To Be Published
6DP3
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BU of 6dp3 by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 10 mM Mg2+ and 75 mM K+ for 40 s at 21 C
Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved 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 (1.461 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
6XQQ
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BU of 6xqq by Molmil
Structure of human D462-E4 TCR
Descriptor: GLYCEROL, TRAV12-2 alpha chain, TRBV29-1
Authors:Awad, W, Rossjohn, J.
Deposit date:2020-07-10
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Atypical TRAV1-2 - T cell receptor recognition of the antigen-presenting molecule MR1.
J.Biol.Chem., 295, 2020
6OUE
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BU of 6oue by Molmil
Carbonic Anhydrase II complexed with benzene sulfonamide MB11-707A
Descriptor: 4-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Kota, A, McKenna, R.
Deposit date:2019-05-04
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.415 Å)
Cite:Carbonic Anhydrase II complexed with ureido benzene sulfonamide MB11-707A
To Be Published
6DG2
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BU of 6dg2 by Molmil
Antigen Binding Fragment of the Pan-ebolavirus Monoclonal Antibody 6D6
Descriptor: 6D6 Fab heavy chain, 6D6 Fab light chain
Authors:Milligan, J.C, Saphire, E.O.
Deposit date:2018-05-16
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural Characterization of Pan-Ebolavirus Antibody 6D6 Targeting the Fusion Peptide of the Surface Glycoprotein.
J. Infect. Dis., 219, 2019
6GHT
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BU of 6ght by Molmil
HtxB D206A protein variant from Pseudomonas stutzeri in complex with hypophosphite to 1.12 A resolution
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, FORMIC ACID, ...
Authors:Bisson, C, Robertson, A.J, Hitchcock, A, Adams, N.B.
Deposit date:2018-05-09
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Phosphite binding by the HtxB periplasmic binding protein depends on the protonation state of the ligand.
Sci Rep, 9, 2019

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數據於2024-08-28公開中

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