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7XHY
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BU of 7xhy by Molmil
Crystal structure of MerTK Kinase domain with BMS794833
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, Tyrosine-protein kinase Mer, ...
Authors:Kim, J.H, Lee, B.I.
Deposit date:2022-04-11
Release date:2022-11-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:BMS794833 inhibits macrophage efferocytosis by directly binding to MERTK and inhibiting its activity.
Exp.Mol.Med., 54, 2022
7XO2
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BU of 7xo2 by Molmil
Minor polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a mid-to-late stage (mid-PD-4) Parkinson's disease patient
Descriptor: Alpha-synuclein
Authors:Fan, Y, Sun, Y.P, Wang, J, Liu, C.
Deposit date:2022-04-30
Release date:2022-11-30
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
7XO1
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BU of 7xo1 by Molmil
Major polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a mid-to-late stage (mid-PD-1) Parkinson's disease patient
Descriptor: Alpha-synuclein
Authors:Fan, Y, Sun, Y.P, Wang, J, Liu, C.
Deposit date:2022-04-30
Release date:2022-11-30
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
8GM6
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BU of 8gm6 by Molmil
Structure of apurinic/apyrimidinic DNA lyase TK0353 from Thermococcus kodakarensis (Selenomethionine)
Descriptor: GLYCEROL, SULFATE ION, TK0353
Authors:Eckenroth, B.E, Gardner, A.F, Doublie, S.
Deposit date:2023-03-24
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Thermococcus kodakarensis TK0353 is a novel AP lyase with a new fold.
J.Biol.Chem., 300, 2023
8GM7
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BU of 8gm7 by Molmil
Structure of apurinic/apyrimidinic DNA Lyase TK0353 from Thermococcus kodakarensis (Native Crystal Form)
Descriptor: GLYCEROL, SULFATE ION, TK0353
Authors:Eckenroth, B.E, Gardner, A.F, Doublie, S.
Deposit date:2023-03-24
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Thermococcus kodakarensis TK0353 is a novel AP lyase with a new fold.
J.Biol.Chem., 300, 2023
6NAD
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BU of 6nad by Molmil
Identification and biological evaluation of tertiary ALCOHOL-based inverse agonists of RORgt
Descriptor: (S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol, Nuclear receptor ROR-gamma
Authors:Spurlino, J, Milligan, C.
Deposit date:2018-12-05
Release date:2019-05-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.90197086 Å)
Cite:3-Substituted Quinolines as ROR gamma t Inverse Agonists.
Bioorg.Med.Chem.Lett., 29, 2019
7TTZ
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BU of 7ttz by Molmil
Heterodimeric IgA Fc in complex with Staphylococcus aureus protein SSL7
Descriptor: 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Boulanger, M.J, Verstraete, M, Heinkel, F, Escobar, E, Dixit, S, Von Kreudenstein, T.S.
Deposit date:2022-02-02
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Engineering a pure and stable heterodimeric IgA for the development of multispecific therapeutics.
Mabs, 14, 2022
7DWM
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BU of 7dwm by Molmil
Crystal structure of the phage VqmA-DPO complex
Descriptor: 3,5-dimethylpyrazin-2-ol, Transcriptional regulator
Authors:Gu, Y, Yang, W.S.
Deposit date:2021-01-17
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Understanding the mechanism of asymmetric gene regulation determined by the VqmA of vibriophage.
Biochem.Biophys.Res.Commun., 558, 2021
7U9E
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BU of 7u9e by Molmil
Pfs230 D1 domain in complex with 230AL-26
Descriptor: 230AL-26, Gametocyte surface protein P230, LMIV230-01
Authors:Tang, W.K, Tolia, N.H.
Deposit date:2022-03-10
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:A human antibody epitope map of Pfs230D1 derived from analysis of individuals vaccinated with a malaria transmission-blocking vaccine.
Immunity, 56, 2023
5VGY
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BU of 5vgy by Molmil
Identification of a New Zinc Binding Chemotype by Fragment Screening
Descriptor: (5S)-5-[(2,4-dimethoxyphenyl)methyl]-5-hydroxy-2-sulfanylideneimidazolidin-4-one, Carbonic anhydrase 2, SODIUM ION, ...
Authors:Peat, T.S.
Deposit date:2017-04-11
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
7WDA
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BU of 7wda by Molmil
Crystal structure LpqY in complex with Trehalose from Mycobacterium tuberculosis
Descriptor: SULFATE ION, Trehalose-binding lipoprotein LpqY, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
Authors:Sharma, D, Das, U.
Deposit date:2021-12-21
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural analysis of LpqY, a substrate-binding protein from the SugABC transporter of Mycobacterium tuberculosis, provides insights into its trehalose specificity.
Acta Crystallogr D Struct Biol, 78, 2022
7WCJ
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BU of 7wcj by Molmil
Crystal structure LpqY from Mycobacterium tuberculosis
Descriptor: SULFATE ION, Trehalose-binding lipoprotein LpqY
Authors:Sharma, D, Das, U.
Deposit date:2021-12-20
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural analysis of LpqY, a substrate-binding protein from the SugABC transporter of Mycobacterium tuberculosis, provides insights into its trehalose specificity.
Acta Crystallogr D Struct Biol, 78, 2022
7DA0
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BU of 7da0 by Molmil
High-resolution crystal structure of the chicken MHF complex
Descriptor: Centromere protein S, Centromere protein X
Authors:Ito, S, Nishino, T.
Deposit date:2020-10-14
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural analysis of the chicken FANCM-MHF complex and its stability.
Acta Crystallogr.,Sect.F, 77, 2021
7NY4
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BU of 7ny4 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-130
Descriptor: 14-3-3 protein sigma, 4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2021-03-20
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7DA1
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BU of 7da1 by Molmil
Crystal structure of the chicken MHF complex
Descriptor: Centromere protein S, Centromere protein X
Authors:Ito, S, Nishino, T.
Deposit date:2020-10-14
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural analysis of the chicken FANCM-MHF complex and its stability.
Acta Crystallogr.,Sect.F, 77, 2021
7DA2
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BU of 7da2 by Molmil
The crystal structure of the chicken FANCM-MHF complex
Descriptor: Centromere protein S, Centromere protein X, Fanconi anemia group M protein
Authors:Nishino, T, Ito, S.
Deposit date:2020-10-14
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural analysis of the chicken FANCM-MHF complex and its stability.
Acta Crystallogr.,Sect.F, 77, 2021
7U0R
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BU of 7u0r by Molmil
Crystal structure of Methanomethylophilus alvus PylRS(N166A/V168A) complexed with meta-trifluoromethyl-2-benzylmalonate and AMP-PNP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Swenson, C.V, Roe, L.T, Fricke, R.C.B, Smaga, S.S, Gee, C.L, Schepartz, A.
Deposit date:2022-02-18
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Expanding the substrate scope of pyrrolysyl-transfer RNA synthetase enzymes to include non-alpha-amino acids in vitro and in vivo.
Nat.Chem., 15, 2023
6NIT
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BU of 6nit by Molmil
Human Argonaute2-miR-122 bound to a target RNA with four central mismatches (bu4)
Descriptor: Protein argonaute-2, RNA (5'-R(P*AP*AP*CP*AP*CP*CP*AP*UP*CP*CP*AP*AP*CP*AP*CP*UP*CP*CP*AP*AP*A)-3'), RNA (5'-R(P*UP*GP*GP*AP*GP*UP*GP*UP*GP*AP*CP*AP*AP*UP*GP*GP*UP*GP*UP*UP*U)-3')
Authors:Sheu-Gruttadauria, J, MacRae, I.J.
Deposit date:2018-12-31
Release date:2019-08-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural Basis for Target-Directed MicroRNA Degradation.
Mol.Cell, 75, 2019
8GMH
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BU of 8gmh by Molmil
Crystal Structure of the ternary complex of TelA-LXG, LapA3, and LapA4
Descriptor: 1,2-ETHANEDIOL, LXG domain-containing protein, LapA3, ...
Authors:Klein, T.A, Shah, P.Y, Gkragkopoulou, P, Grebenc, D.W, Kim, Y, Whitney, J.C.
Deposit date:2023-03-25
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of a tripartite protein complex that targets toxins to the type VII secretion system.
Proc.Natl.Acad.Sci.USA, 121, 2024
7S11
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BU of 7s11 by Molmil
Crystal structure of Fab in complex with mouse CD96 monomer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ...
Authors:Lee, P.S, Chau, B, Strop, P.
Deposit date:2021-08-31
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Antibody blockade of CD96 by distinct molecular mechanisms.
Mabs, 13, 2021
5FQS
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BU of 5fqs by Molmil
Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 3.
Descriptor: (E)-3-[4-(6-HYDROXY-2-ISOBUTYL-1-METHYL-3,4-DIHYDROISOQUINOLIN-1-YL)PHENYL]PROP-2-ENOIC ACID, ESTROGEN RECEPTOR
Authors:Scott, J.S, Bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D.
Deposit date:2015-12-14
Release date:2016-02-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat.
Acs Med.Chem.Lett., 7, 2016
5G4P
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BU of 5g4p by Molmil
Crystal structure of human hippocalcin at 2.4 A resolution
Descriptor: CALCIUM ION, Neuron-specific calcium-binding protein hippocalcin
Authors:Antonyuk, S.V, Helassa, N, Lian, L.Y, Haynes, L.P, Burgoyne, R.D.
Deposit date:2016-05-15
Release date:2017-05-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Biophysical and functional characterization of hippocalcin mutants responsible for human dystonia.
Hum. Mol. Genet., 26, 2017
8GA6
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BU of 8ga6 by Molmil
Geometrically programmable nanomaterial construction using regularized protein building blocks
Descriptor: THR6
Authors:Huddy, T, Bera, A.K, Baker, D, Kang, A.
Deposit date:2023-02-22
Release date:2024-03-13
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Blueprinting extendable nanomaterials with standardized protein blocks.
Nature, 627, 2024
5G58
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BU of 5g58 by Molmil
Crystal structure of A190T mutant of human hippocalcin AT 2.5 A resolution
Descriptor: CALCIUM ION, Neuron-specific calcium-binding protein hippocalcin
Authors:Antonyuk, S.V, Helassa, N, Lian, L.Y, Haynes, L.P, Burgoyne, R.D.
Deposit date:2016-05-22
Release date:2017-05-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Biophysical and functional characterization of hippocalcin mutants responsible for human dystonia.
Hum. Mol. Genet., 26, 2017
5GJQ
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BU of 5gjq by Molmil
Structure of the human 26S proteasome bound to USP14-UbAl
Descriptor: 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ...
Authors:Huang, X.L, Luan, B, Wu, J.P, Shi, Y.G.
Deposit date:2016-07-01
Release date:2016-08-17
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:An atomic structure of the human 26S proteasome.
Nat. Struct. Mol. Biol., 23, 2016

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数据于2024-08-14公开中

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