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6S27
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BU of 6s27 by Molmil
Crystal structure of human wild type STING in complex with 2'3'-cyclic-GMP-2'F-2'dAMP
Descriptor: 2'3'-cyclic-GMP-2'F-2'dAMP, Stimulator of interferon protein
Authors:Smola, M, Boura, E.
Deposit date:2019-06-20
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Enzymatic Preparation of 2'-5',3'-5'-Cyclic Dinucleotides, Their Binding Properties to Stimulator of Interferon Genes Adaptor Protein, and Structure/Activity Correlations.
J.Med.Chem., 62, 2019
7M06
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BU of 7m06 by Molmil
Dihydrodipicolinate synthase (DHDPS) from C.jejuni, Y110F mutant with R,R-bislysine bound at the allosteric site at 2.7 Angstrom
Descriptor: (2R,5R)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid, 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ...
Authors:Saran, S, Sanders, D.A.R.
Deposit date:2021-03-10
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:B-FACTOR ANALYSIS SUGGEST THAT L-LYSINE AND R, R-BISLYSINE ALLOSTERICALLY INHIBIT Cj.DHDPS ENZYME BY DECREASING PROTEIN DYNAMICS
To Be Published
7RPR
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BU of 7rpr by Molmil
Borrelia miyamotoi FbpA complement inhibitory domain
Descriptor: Fibronectin-binding lipoprotein FbpA
Authors:Booth, C.E, Garcia, B.L.
Deposit date:2021-08-04
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Borrelia miyamotoi FbpA and FbpB Are Immunomodulatory Outer Surface Lipoproteins With Distinct Structures and Functions.
Front Immunol, 13, 2022
1BMS
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BU of 1bms by Molmil
CRYSTAL STRUCTURE OF MS2 CAPSIDS WITH MUTATIONS IN THE SUBUNIT FG LOOP
Descriptor: BACTERIOPHAGE MS2 CAPSID
Authors:Liljas, L, Stonehouse, N.J.
Deposit date:1995-08-29
Release date:1996-03-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of MS2 capsids with mutations in the subunit FG loop.
J.Mol.Biol., 256, 1996
6Z8Y
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BU of 6z8y by Molmil
Copper transporter OprC
Descriptor: Putative copper transport outer membrane porin OprC
Authors:Bhamidimarri, S.P, van den Berg, B.
Deposit date:2020-06-02
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site.
Plos Biol., 19, 2021
6CJK
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BU of 6cjk by Molmil
Anti HIV Fab 10A
Descriptor: ACETATE ION, GLYCEROL, Immunoglobulin Fab heavy chain, ...
Authors:Hangartner, L, Ward, A.B, Wilson, I.A, Oyen, D.
Deposit date:2018-02-26
Release date:2018-08-15
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.795 Å)
Cite:Electron-Microscopy-Based Epitope Mapping Defines Specificities of Polyclonal Antibodies Elicited during HIV-1 BG505 Envelope Trimer Immunization.
Immunity, 49, 2018
4RPF
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BU of 4rpf by Molmil
Crystal structure of homoserine kinase from Yersinia pestis Nepal516, NYSGRC target 032715
Descriptor: CITRIC ACID, Homoserine kinase
Authors:Ptskovsky, Y, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2014-10-30
Release date:2014-11-12
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Homoserine Kinase from Yersinia Pestis Nepal516, Nysgrc Target 032715
To be Published
6HWH
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BU of 6hwh by Molmil
Structure of a functional obligate respiratory supercomplex from Mycobacterium smegmatis
Descriptor: CARDIOLIPIN, COPPER (II) ION, Co-purified unknown peptide built as polyALA, ...
Authors:Wiseman, B, Nitharwal, R.G, Fedotovskaya, O, Schafer, J, Guo, H, Kuang, Q, Benlekbir, S, Sjostrand, D, Adelroth, P, Rubinstein, J.L, Brzezinski, P, Hogbom, M.
Deposit date:2018-10-12
Release date:2018-11-07
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of a functional obligate complex III2IV2respiratory supercomplex from Mycobacterium smegmatis.
Nat. Struct. Mol. Biol., 25, 2018
6QJH
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BU of 6qjh by Molmil
Cryo-EM structure of heparin-induced 2N4R tau snake filaments
Descriptor: Microtubule-associated protein tau
Authors:Zhang, W, Falcon, B, Murzin, A.G, Fan, J, Crowther, R.A, Goedert, M, Scheres, S.H.W.
Deposit date:2019-01-24
Release date:2019-02-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Heparin-induced tau filaments are polymorphic and differ from those in Alzheimer's and Pick's diseases.
Elife, 8, 2019
8DMN
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BU of 8dmn by Molmil
Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
Descriptor: 3C-like proteinase nsp5
Authors:Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J.
Deposit date:2022-07-08
Release date:2023-05-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals.
Acs Cent.Sci., 9, 2023
6CZJ
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BU of 6czj by Molmil
Structure of a redesigned beta barrel, b10
Descriptor: SULFATE ION, b10
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
5JP3
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BU of 5jp3 by Molmil
Structure of Xanthomonas campestris effector protein XopD bound to ubiquitin
Descriptor: Polyubiquitin-B, Xanthomonas outer protein D
Authors:Pruneda, J.N, Komander, D.
Deposit date:2016-05-03
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Molecular Basis for Ubiquitin and Ubiquitin-like Specificities in Bacterial Effector Proteases.
Mol.Cell, 63, 2016
5JPO
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BU of 5jpo by Molmil
Complex structure of human elongation factor 1B gamma GST-liked domain and delta N-terminal domain
Descriptor: Elongation factor 1-delta, Elongation factor 1-gamma, GLYCEROL
Authors:Choi, Y.S, Kang, B.S.
Deposit date:2016-05-04
Release date:2017-05-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Complex structure of human elongation factor 1B gamma GST-liked domain and delta N-terminal domain
To Be Published
6NVB
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BU of 6nvb by Molmil
Crystal structure of the inhibitor-free form of the serine protease kallikrein-4
Descriptor: GLYCEROL, Kallikrein-4, SULFATE ION
Authors:Riley, B.T, Buckle, A.M, McGowan, S.
Deposit date:2019-02-04
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.636 Å)
Cite:Crystal structure of the inhibitor-free form of the serine protease kallikrein-4.
Acta Crystallogr.,Sect.F, 75, 2019
6ZLG
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BU of 6zlg by Molmil
Folding of an iron binding peptide in response to sedimentation is resolved using ferritin as a nano-reactor
Descriptor: Ferritin
Authors:Davidov, G, Abelya, G, Zalk, R, Izbicki, B, Shaibi, S, Spektor, L, Meyron Holtz, E.G, Zarivach, R, Frank, G.A.
Deposit date:2020-06-30
Release date:2021-07-07
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Folding of an Intrinsically Disordered Iron-Binding Peptide in Response to Sedimentation Revealed by Cryo-EM.
J.Am.Chem.Soc., 142, 2020
6CEK
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BU of 6cek by Molmil
Crystal structure of the D141N variant of catalase-peroxidase from B. pseudomallei
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2018-02-12
Release date:2018-02-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the D141N variant of catalase-peroxidase from B. pseudomallei
To be published
6NOW
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BU of 6now by Molmil
Human Mitochondrial Alanyl-tRNA Synthetase C-Ala domain
Descriptor: Alanine--tRNA ligase, mitochondrial
Authors:Kuhle, B, Schimmel, P.
Deposit date:2019-01-16
Release date:2020-01-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4.099 Å)
Cite:Relaxed sequence constraints favor mutational freedom in idiosyncratic metazoan mitochondrial tRNAs.
Nat Commun, 11, 2020
5EK5
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BU of 5ek5 by Molmil
STRUCTURAL CHARACTERIZATION OF IRMA FROM ESCHERICHIA COLI
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ...
Authors:Heras, B, Moriel, D.G, Paxman, J.J, Schembri, M.A.
Deposit date:2015-11-03
Release date:2016-03-09
Last modified:2016-07-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Molecular and Structural Characterization of a Novel Escherichia coli Interleukin Receptor Mimic Protein.
Mbio, 7, 2016
7D8C
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BU of 7d8c by Molmil
Crystal structure of the Cas12i1-crRNA binary complex
Descriptor: 12i1, CITRIC ACID, RNA (3-MER), ...
Authors:Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y.
Deposit date:2020-10-07
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1.
Nat Commun, 12, 2021
462D
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BU of 462d by Molmil
CRYSTAL STRUCTURE OF THE HIV-1 GENOMIC RNA DIMERIZATION INITIATION SITE
Descriptor: MAGNESIUM ION, RNA (5'-R(*CP*UP*UP*GP*CP*UP*GP*AP*GP*GP*UP*GP*CP*AP*CP*AP*CP*AP*GP*CP*AP*AP*G) -3')
Authors:Ennifar, E, Yusupov, M, Walter, P, Marquet, R, Ehresmann, C, Ehresmann, B, Dumas, P.
Deposit date:1999-03-18
Release date:1999-12-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of the dimerization initiation site of genomic HIV-1 RNA reveals an extended duplex with two adenine bulges.
Structure Fold.Des., 7, 1999
8V8Z
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BU of 8v8z by Molmil
Lipoprotein(a) Kringle IV domain 8 - Lp(a) KIV8 in complex with LY3473329
Descriptor: Apolipoprotein(a), muvalaplin
Authors:Hendle, J, Weichert, K, Sauder, J.M.
Deposit date:2023-12-06
Release date:2024-05-08
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Discovery of potent small-molecule inhibitors of lipoprotein(a) formation.
Nature, 629, 2024
6TJX
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BU of 6tjx by Molmil
Cryo-EM structure of TypeII tau filaments extracted from the brains of individuals with Corticobasal degeneration
Descriptor: Microtubule-associated protein tau
Authors:Zhang, W, Murzin, A.G, Falcon, B, Shi, Y, Goedert, M, Scheres, S.H.W.
Deposit date:2019-11-27
Release date:2020-02-05
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Novel tau filament fold in corticobasal degeneration.
Nature, 580, 2020
5EPK
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BU of 5epk by Molmil
Crystal Structure of chromodomain of CBX2 in complex with inhibitor UNC3866
Descriptor: Chromobox protein homolog 2, UNKNOWN ATOM OR ION, unc3866
Authors:Liu, Y, Tempel, W, Walker, J.R, Stuckey, J.I, Dickson, B.M, James, L.I, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2015-11-11
Release date:2015-12-23
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1.
Nat.Chem.Biol., 12, 2016
6HFX
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BU of 6hfx by Molmil
Crystal structure of Extracellular Domain 1 (ECD1) of FtsX from S. pneumonie in complex with n-decyl-B-D-maltoside
Descriptor: Cell division protein FtsX, DECYL-BETA-D-MALTOPYRANOSIDE
Authors:Alcorlo Pages, M, Martinez-Caballero, S.
Deposit date:2018-08-22
Release date:2019-04-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structure of the Large Extracellular Loop of FtsX and Its Interaction with the Essential Peptidoglycan Hydrolase PcsB in Streptococcus pneumoniae.
Mbio, 10, 2019
5M6U
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BU of 5m6u by Molmil
HUMAN PI3KDELTA IN COMPLEX WITH LASW1579
Descriptor: 4-azanyl-6-[[(1~{S})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Segarra, V, Hernandez, B, Lozoya, E, Blaesse, M, Hoeppner, S, Jestel, A.
Deposit date:2016-10-26
Release date:2017-02-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery of a Potent, Selective, and Orally Available PI3K delta Inhibitor for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017

224004

數據於2024-08-21公開中

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