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PDB: 42289 results

6V7Z
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BU of 6v7z by Molmil
Human CD1d presenting alpha-Galactosylceramide in complex with VHH nanobody 1D22
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ...
Authors:Shahine, A, Rossjohn, J.
Deposit date:2019-12-10
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A single-domain bispecific antibody targeting CD1d and the NKT T-cell receptor induces a potent antitumor response.
Nat Cancer, 2020
8SJ2
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BU of 8sj2 by Molmil
Structure of ternary complex of cGAS with dsDNA and bound ATP and 2'-dGTP
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, ...
Authors:Wu, S, Sohn, J.
Deposit date:2023-04-17
Release date:2024-04-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS.
Nat Commun, 15, 2024
8S7C
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BU of 8s7c by Molmil
Ternary Complex of Cachd1, FZD5 and LRP6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-5, ...
Authors:Zhao, Y, Ren, J, Jones, E.Y.
Deposit date:2024-02-29
Release date:2024-04-24
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (4.7 Å)
Cite:Cachd1 interacts with Wnt receptors and regulates neuronal asymmetry in the zebrafish brain.
Science, 384, 2024
8SGI
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BU of 8sgi by Molmil
Cryo-EM structure of human NCX1 in complex with SEA0400
Descriptor: 2-{4-[(2,5-difluorophenyl)methoxy]phenoxy}-5-ethoxyaniline, CALCIUM ION, Fab heavy chain, ...
Authors:Xue, J, Jiang, Y.
Deposit date:2023-04-12
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural mechanisms of human cardiac sodium calcium exchanger NCX1
To Be Published
6PII
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BU of 6pii by Molmil
The evolving story of AtzT, a periplasmic binding protein
Descriptor: Atrazine periplasmic binding protein, CALCIUM ION, ETHYL MERCURY ION, ...
Authors:Peat, T.S, Newman, J, Scott, C, Esquirol, L, Dennis, M, Nebl, T.
Deposit date:2019-06-26
Release date:2019-11-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:The evolving story of AtzT, a periplasmic binding protein.
Acta Crystallogr D Struct Biol, 75, 2019
8SJ8
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BU of 8sj8 by Molmil
Structure of binary complex of human cGAS and bound ppp(2'-5')GpG
Descriptor: Cyclic GMP-AMP synthase, ZINC ION, [[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[[(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]oxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Authors:Wu, S, Sohn, J.
Deposit date:2023-04-17
Release date:2024-04-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS.
Nat Commun, 15, 2024
8RU0
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BU of 8ru0 by Molmil
Structure of the undecorated barbed end of F-actin.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
Authors:Oosterheert, W, Boiero Sanders, M, Funk, J, Prumbaum, D, Raunser, S, Bieling, P.
Deposit date:2024-01-29
Release date:2024-04-10
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Molecular mechanism of actin filament elongation by formins.
Science, 384, 2024
7EKA
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BU of 7eka by Molmil
crystal structure of epigallocatechin binding with alpha-lactalbumin
Descriptor: 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL, Alpha-lactalbumin
Authors:Ma, J, Yao, Q, Chen, X, Zang, J.
Deposit date:2021-04-05
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Weak Binding of Epigallocatechin to alpha-Lactalbumin Greatly Improves Its Stability and Uptake by Caco-2 Cells.
J.Agric.Food Chem., 69, 2021
8B25
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BU of 8b25 by Molmil
Dihydroprecondylocarpine acetate synthase 2 from Tabernanthe iboga - stemmadenine acetate bound structure
Descriptor: 1,2-ETHANEDIOL, Dihydroprecondylocarpine acetate synthase 2, SULFATE ION, ...
Authors:Langley, C, Basquin, J, Caputi, L, O'Connor, S.E.
Deposit date:2022-09-13
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism.
Angew.Chem.Int.Ed.Engl., 61, 2022
7WRI
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BU of 7wri by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike receptor-binding domain in complex with mouse ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein, ...
Authors:Han, P, Xie, Y, Qi, J.
Deposit date:2022-01-26
Release date:2022-06-08
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Broader-species receptor binding and structural bases of Omicron SARS-CoV-2 to both mouse and palm-civet ACE2s.
Cell Discov, 8, 2022
7WSK
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BU of 7wsk by Molmil
Crystal structure of SARS-CoV-2 Omicron spike receptor-binding domain in complex with civet ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Huang, B, Han, P, Qi, J.
Deposit date:2022-01-29
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Broader-species receptor binding and structural bases of Omicron SARS-CoV-2 to both mouse and palm-civet ACE2s.
Cell Discov, 8, 2022
2JK0
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BU of 2jk0 by Molmil
Structural and functional insights into Erwinia carotovora L- asparaginase
Descriptor: ASPARTIC ACID, L-ASPARAGINASE
Authors:Papageorgiou, A.C, Posypanova, G.A, Andersson, C.S, Sokolov, N.N, Krasotkina, J.
Deposit date:2008-05-23
Release date:2008-08-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Functional Insights Into Erwinia Carotovora L-Asparaginase.
FEBS J., 275, 2008
8SJ0
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BU of 8sj0 by Molmil
Structure of ternary complex of cGAS with dsDNA and bound 2'-dATP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, MAGNESIUM ION, ...
Authors:Wu, S, Sohn, J.
Deposit date:2023-04-17
Release date:2024-04-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS.
Nat Commun, 15, 2024
8R5U
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BU of 8r5u by Molmil
VIM-2 metallo-beta-lactamase in complex with benzebisheterocycle compound 14
Descriptor: Beta-lactamase VIM-2, FORMIC ACID, ZINC ION, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2023-11-17
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Rational Design of Benzobisheterocycle Metallo-beta-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes.
J.Med.Chem., 67, 2024
4LFE
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BU of 4lfe by Molmil
Crystal structure of geranylgeranyl diphosphate synthase sub1274 (target efi-509455) from streptococcus uberis 0140j with bound magnesium and isopentyl diphosphate, partially liganded complex;
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranylgeranyl diphosphate synthase, MAGNESIUM ION
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-06-26
Release date:2013-07-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Geranylgeranyl Diphosphate Synthase from Streptococcus Uberis 0140J
To be Published
6VHB
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BU of 6vhb by Molmil
1.4A low-dose structure of GSNQNNF determined from initial phases generated using radiation damage
Descriptor: ACETATE ION, GSNQNNF, ZINC ION
Authors:Martynowycz, M.W, Hattne, J, Gonen, T.
Deposit date:2020-01-09
Release date:2020-02-19
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1.4 Å)
Cite:Experimental Phasing of MicroED Data Using Radiation Damage.
Structure, 28, 2020
7PE3
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BU of 7pe3 by Molmil
Pseudo-atomic model of the tetrahedral 24mer of Hsp17 from Caenorhabditis elegans
Descriptor: SHSP domain-containing protein
Authors:Rossa, B, Weinkauf, S, Buchner, J.
Deposit date:2021-08-09
Release date:2022-12-14
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (6.49 Å)
Cite:The permanently chaperone-active small heat shock protein Hsp17 from Caenorhabditis elegans exhibits topological separation of its N-terminal regions.
J.Biol.Chem., 299, 2022
8RTT
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BU of 8rtt by Molmil
Structure of the formin Cdc12 bound to the barbed end of phalloidin-stabilized F-actin.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ...
Authors:Oosterheert, W, Boiero Sanders, M, Funk, J, Prumbaum, D, Raunser, S, Bieling, P.
Deposit date:2024-01-29
Release date:2024-04-10
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Molecular mechanism of actin filament elongation by formins.
Science, 384, 2024
8RU2
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BU of 8ru2 by Molmil
Structure of the F-actin barbed end bound by formin mDia1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ...
Authors:Oosterheert, W, Boiero Sanders, M, Funk, J, Prumbaum, D, Raunser, S, Bieling, P.
Deposit date:2024-01-29
Release date:2024-04-10
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Molecular mechanism of actin filament elongation by formins.
Science, 384, 2024
7PQH
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BU of 7pqh by Molmil
Cryo-EM structure of Saccharomyces cerevisiae TOROID (TORC1 Organized in Inhibited Domains).
Descriptor: Serine/threonine-protein kinase TOR2, Target of rapamycin complex 1 subunit KOG1,Target of rapamycin complex 1 subunit Kog1, Target of rapamycin complex subunit LST8
Authors:Felix, J, Prouteau, M, Bourgoint, C, Bonadei, L, Desfosses, A, Gabus, C, Sadian, Y, Savvides, S.N, Gutsche, I, Loewith, R.
Deposit date:2021-09-17
Release date:2023-01-18
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:EGOC inhibits TOROID polymerization by structurally activating TORC1.
Nat.Struct.Mol.Biol., 30, 2023
6PFN
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BU of 6pfn by Molmil
Succinyl-CoA synthase from Francisella tularensis
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, COENZYME A, ...
Authors:Osipiuk, J, Maltseva, N, Jedrzejczak, R, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-06-21
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Succinyl-CoA synthase from Francisella tularensis
to be published
8AEK
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BU of 8aek by Molmil
Structure of Compound 14 bound to CK2alpha
Descriptor: 2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanenitrile, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Brear, P, Fusco, C, Atkinson, E, Iegre, J, Francis-Newton, N, Venkotaraman, A, Spring, D, Hyvonen, M.
Deposit date:2022-07-13
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
8B26
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BU of 8b26 by Molmil
Dihydroprecondylocarpine acetate synthase 2 from Tabernanthe iboga
Descriptor: Dihydroprecondylocarpine acetate synthase 2, ZINC ION
Authors:Langley, C, Basquin, J, Caputi, L, O'Connor, S.E.
Deposit date:2022-09-13
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism.
Angew.Chem.Int.Ed.Engl., 61, 2022
8R5T
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BU of 8r5t by Molmil
Crystal structure of NDM-1 in complex with benzobisheterocycle compound 14.
Descriptor: Metallo-beta-lactamase type 2, SULFATE ION, ZINC ION, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2023-11-17
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Rational Design of Benzobisheterocycle Metallo-beta-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes.
J.Med.Chem., 67, 2024
8AIJ
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BU of 8aij by Molmil
STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PAO1 IN COMPLEX WITH N-(alpha-L-Fucopyranosyl)benzamide (6)
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Fucose-binding lectin PA-IIL, ...
Authors:Meiers, J, Mala, P, Varrot, A, Siebs, E, Imberty, A, Titz, A.
Deposit date:2022-07-26
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of N -beta-l-Fucosyl Amides as High-Affinity Ligands for the Pseudomonas aeruginosa Lectin LecB.
J.Med.Chem., 65, 2022

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数据于2024-07-17公开中

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