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6POQ
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BU of 6poq by Molmil
Crystal Structure of EcDsbA in complex with anisidine 16
Descriptor: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, {6-[(4-methoxyphenyl)amino]-1-benzofuran-3-yl}acetic acid
Authors:Ilyichova, O.V, Scanlon, M.J.
Deposit date:2019-07-04
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors.
Molecules, 24, 2019
6PQK
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BU of 6pqk by Molmil
Cryogenic crystal structure of barnase A43C/S80C bound to barstar C40A/S59C/A67C/C82A
Descriptor: 1,2-ETHANEDIOL, Barstar, PHOSPHATE ION, ...
Authors:Caro, J.A, Djanto, V, Wand, A.J.
Deposit date:2019-07-09
Release date:2020-07-15
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Targeting conformational entropy to modulate binding affinity
To Be Published
6POR
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BU of 6por by Molmil
Antimicrobial lasso peptide ubonodin
Descriptor: Ubonodin
Authors:Link, A.J, Cheung-Lee, W.L.
Deposit date:2019-07-05
Release date:2019-12-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Discovery of Ubonodin, an Antimicrobial Lasso Peptide Active against Members of the Burkholderia cepacia Complex.
Chembiochem, 21, 2020
6PX0
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BU of 6px0 by Molmil
Crystal structure of the TPR domain of human aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1)
Descriptor: 1,2-ETHANEDIOL, Aryl-hydrocarbon-interacting protein-like 1, BETA-MERCAPTOETHANOL, ...
Authors:Yadav, R.P, Artemyev, N.O.
Deposit date:2019-07-24
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Interaction of the tetratricopeptide repeat domain of aryl hydrocarbon receptor-interacting protein-like 1 with the regulatory P gamma subunit of phosphodiesterase 6.
J.Biol.Chem., 294, 2019
6PV1
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BU of 6pv1 by Molmil
Backbone-modified variant of zinc finger 2 from the transcription factor Sp1 DNA binding domain: Aib in the metal-binding turn
Descriptor: Transcription factor Sp1, ZINC ION
Authors:Rao, S.R, Horne, W.S.
Deposit date:2019-07-19
Release date:2020-06-24
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Proteomimetic Zinc Finger Domains with Modified Metal-binding beta-Turns.
Pept Sci (Hoboken), 112, 2020
6PV3
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BU of 6pv3 by Molmil
Backbone-modified variant of zinc finger 2 from the transcription factor Sp1 DNA binding domain: altered helix, loop, turn, and sheet
Descriptor: Transcription factor Sp1, ZINC ION
Authors:Rao, S.R, Horne, W.S.
Deposit date:2019-07-19
Release date:2020-06-24
Last modified:2024-07-10
Method:SOLUTION NMR
Cite:Proteomimetic Zinc Finger Domains with Modified Metal-binding beta-Turns.
Pept Sci (Hoboken), 112, 2020
6PWU
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BU of 6pwu by Molmil
Structure of full-length, fully glycosylated, non-modified HIV-1 gp160 bound to PG16 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pan, J, Chen, B, Harrison, S.C.
Deposit date:2019-07-23
Release date:2020-02-26
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Cryo-EM Structure of Full-length HIV-1 Env Bound With the Fab of Antibody PG16.
J.Mol.Biol., 432, 2020
6PVZ
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BU of 6pvz by Molmil
E.coli DsbA in complex with benzofuran compound 28 ((6-benzyl-1-benzofuran-3-yl)acetic acid)
Descriptor: (6-benzyl-1-benzofuran-3-yl)acetic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
Authors:Wang, G, Heras, B.
Deposit date:2019-07-21
Release date:2019-12-25
Last modified:2020-10-07
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors.
Molecules, 24, 2019
6PVY
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BU of 6pvy by Molmil
E.coli DsbA in complex with benzofuran compound 26 ([6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid)
Descriptor: COPPER (II) ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Wang, G, Heras, B.
Deposit date:2019-07-21
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors.
Molecules, 24, 2019
6Q1U
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BU of 6q1u by Molmil
Structure of plasmin and peptide complex
Descriptor: 1-methyl-1H-1,2,3-triazole, GLY-ARG-ALA-TYR-LYS-SER-LYS-PRO-PRO-ILE-ALA-PHE-PRO-ASP, Plasminogen
Authors:Wu, G, Law, R.H.P.
Deposit date:2019-08-06
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3467 Å)
Cite:Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides.
Angew.Chem.Int.Ed.Engl., 59, 2020
6QB2
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BU of 6qb2 by Molmil
Crystal structure of the cystatin-based engineered protein scaffold SQT-1C
Descriptor: Monomer of SQT-1C
Authors:Levy, C.W.
Deposit date:2018-12-20
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Studies of the oligomerisation mechanism of a cystatin-based engineered protein scaffold.
Sci Rep, 9, 2019
6QH3
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BU of 6qh3 by Molmil
Catalytic domain of the human ubiquitin-conjugating enzyme UBE2S C118M
Descriptor: 1,2-ETHANEDIOL, Ubiquitin-conjugating enzyme E2 S
Authors:Liess, A.K.L, Lorenz, S.
Deposit date:2019-01-15
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Autoinhibition Mechanism of the Ubiquitin-Conjugating Enzyme UBE2S by Autoubiquitination.
Structure, 27, 2019
6QHK
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BU of 6qhk by Molmil
PAO-linked dimer of the catalytic domain of the human ubiquitin-conjugating enzyme UBE2S
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Phenylarsine oxide, ...
Authors:Liess, A.K.L, Lorenz, S.
Deposit date:2019-01-16
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Autoinhibition Mechanism of the Ubiquitin-Conjugating Enzyme UBE2S by Autoubiquitination.
Structure, 27, 2019
6PV2
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BU of 6pv2 by Molmil
Backbone-modified variant of zinc finger 2 from the transcription factor Sp1 DNA binding domain: Orn in the metal-binding turn
Descriptor: Transcription factor Sp1, ZINC ION
Authors:Rao, S.R, Horne, W.S.
Deposit date:2019-07-19
Release date:2020-06-24
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Proteomimetic Zinc Finger Domains with Modified Metal-binding beta-Turns.
Pept Sci (Hoboken), 112, 2020
6QRJ
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BU of 6qrj by Molmil
Crystal structure of ShkA full-length in complex with AMPPNP
Descriptor: Hybrid kinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Dubey, B.N, Schirmer, T.
Deposit date:2019-02-19
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Hybrid histidine kinase activation by cyclic di-GMP-mediated domain liberation.
Proc.Natl.Acad.Sci.USA, 117, 2020
6QUU
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BU of 6quu by Molmil
Crystal Structure of KRAS-G12D in complex with GMP-PCP
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
Authors:Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B.
Deposit date:2019-02-28
Release date:2019-07-31
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.477 Å)
Cite:KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
6QVJ
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BU of 6qvj by Molmil
HsCKK (human CAMSAP1) decorated 14pf taxol-GDP microtubule
Descriptor: Calmodulin-regulated spectrin-associated protein 1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A.
Deposit date:2019-03-02
Release date:2019-11-27
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural determinants of microtubule minus end preference in CAMSAP CKK domains.
Nat Commun, 10, 2019
6QUV
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BU of 6quv by Molmil
Crystal Structure of KRAS-G12D in complex with GMP-PCP and compound 15R
Descriptor: (6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one, GTPase KRas, MAGNESIUM ION, ...
Authors:Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B.
Deposit date:2019-02-28
Release date:2019-07-31
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.475 Å)
Cite:KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
6QUX
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BU of 6qux by Molmil
Crystal Structure of KRAS-G12D in Complex with Natural Product-Like Compound 15
Descriptor: (6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one, 1,2-ETHANEDIOL, GTPase KRas, ...
Authors:Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B.
Deposit date:2019-02-28
Release date:2019-07-31
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
6QZG
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BU of 6qzg by Molmil
Beta-glucose 1,6-bisphosphonate bound to wild type beta-phosphoglucomutse in an open conformation.
Descriptor: 3,7-anhydro-1,2,8-trideoxy-1,8-diphosphono-D-glycero-D-gulo-octitol, Beta-phosphoglucomutase, MAGNESIUM ION
Authors:Robertson, A.J.
Deposit date:2019-03-11
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Beta-glucose 1,6-bisphosphonate bound to wild type beta-phosphoglucomutse in an open conformation.
To Be Published
6QRL
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BU of 6qrl by Molmil
Crystal structure of ShkA _Rec1 in complex with c-di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Hybrid kinase, SULFATE ION
Authors:Dubey, B.N, Schirmer, T.
Deposit date:2019-02-19
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Hybrid histidine kinase activation by cyclic di-GMP-mediated domain liberation.
Proc.Natl.Acad.Sci.USA, 117, 2020
6QVE
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BU of 6qve by Molmil
NgCKK (Naegleria Gruberi CKK) decorated 14pf taxol-GDP microtubule
Descriptor: Beta1-tubulin, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A.
Deposit date:2019-03-01
Release date:2019-11-27
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural determinants of microtubule minus end preference in CAMSAP CKK domains.
Nat Commun, 10, 2019
6QUY
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BU of 6quy by Molmil
NgCKK (N.Gruberi CKK) decorated 13pf taxol-GDP microtubule
Descriptor: CKK domain protein, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A.
Deposit date:2019-02-28
Release date:2019-11-27
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural determinants of microtubule minus end preference in CAMSAP CKK domains.
Nat Commun, 10, 2019
6QUW
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BU of 6quw by Molmil
Crystal Structure of KRAS-G12D in Complex with Natural Product-Like Compound 9b
Descriptor: (3~{a}~{R},8~{b}~{S})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{H}-pyrrolo[2,3-b]indole, GTPase KRas, MAGNESIUM ION, ...
Authors:Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B.
Deposit date:2019-02-28
Release date:2019-07-31
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.242 Å)
Cite:KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
6QUS
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BU of 6qus by Molmil
HsCKK (human CAMSAP1) decorated 13pf taxol-GDP microtubule
Descriptor: Calmodulin-regulated spectrin-associated protein 1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A.
Deposit date:2019-02-28
Release date:2019-11-27
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural determinants of microtubule minus end preference in CAMSAP CKK domains.
Nat Commun, 10, 2019

222624

数据于2024-07-17公开中

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