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5A6X
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BU of 5a6x by Molmil
Structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 in complex with alpha-methyl-fucoside
Descriptor: CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, methyl alpha-L-fucopyranoside
Authors:Sommer, R, Wagner, S, Varrot, A, Khaledi, A, Haussler, S, Imberty, A, Titz, A.
Deposit date:2015-07-02
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The virulence factor LecB varies in clinical isolates: consequences for ligand binding and drug discovery.
Chem Sci, 7, 2016
6MLC
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BU of 6mlc by Molmil
PHD6 domain of MLL3 in complex with histone H4
Descriptor: GLYCEROL, Histone H4, Histone-lysine N-methyltransferase 2C, ...
Authors:Dong, A, Liu, Y, Qin, S, Lei, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-09-27
Release date:2018-10-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into trans-histone regulation of H3K4 methylation by unique histone H4 binding of MLL3/4.
Nat Commun, 10, 2019
6PAL
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BU of 6pal by Molmil
Bacteroides uniformis endo-laminarinase BuGH158 from the beta(1,3)-glucan utilization locus
Descriptor: ACETATE ION, SULFATE ION, Uncharacterized protein
Authors:Tamura, K, Brumer, H, van Petegem, F.
Deposit date:2019-06-11
Release date:2020-04-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.818 Å)
Cite:Synergy between Cell Surface Glycosidases and Glycan-Binding Proteins Dictates the Utilization of Specific Beta(1,3)-Glucans by Human GutBacteroides.
Mbio, 11, 2020
5A3D
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BU of 5a3d by Molmil
Structural insights into the recognition of cisplatin and AAF-dG lesions by Rad14 (XPA)
Descriptor: 5'-D(*DG 5IUP*GP*A 5IUP*GP*AP*CP*G 5IUP*AP*GP*AP*DGP*AP)-3', 5'-D(*DTP*CP*TP*CP*TP*AP*C 8FGP*TP*CP*AP*TP*CP*DAP*CP)-3', DNA REPAIR PROTEIN RAD14, ...
Authors:Kuper, J, Koch, S.C, Gasteiger, K.L, Wichlein, N, Schneider, S, Kisker, C, Carell, T.
Deposit date:2015-05-28
Release date:2015-07-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Insights Into the Recognition of Cisplatin and Aaf-Dg Lesion by Rad14 (Xpa).
Proc.Natl.Acad.Sci.USA, 112, 2015
6V34
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BU of 6v34 by Molmil
Crystal structure of BRAF V600E oncogenic mutant in complex with TAK-580
Descriptor: 6-amino-5-chloro-N-[(1R)-1-(5-{[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide, Serine/threonine-protein kinase B-raf
Authors:Gonzalez Del-Pino, G, Li, K, Eck, M.J.
Deposit date:2019-11-25
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Crystal structure of BRAF V600E oncogenic mutant in complex with TAK-580
To Be Published
7W21
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BU of 7w21 by Molmil
Structure of the M. tuberculosis HtrA N269A mutant
Descriptor: Probable serine protease HtrA1
Authors:Gupta, A.K, Gopal, B.
Deposit date:2021-11-21
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
6V3C
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BU of 6v3c by Molmil
K2P2.1(TREK-1)I110D:Ru360 bound channel structure
Descriptor: CADMIUM ION, HEXANE, N-OCTANE, ...
Authors:Pope, L, Lolicato, M, Minor, D.L.
Deposit date:2019-11-25
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Polynuclear Ruthenium Amines Inhibit K2PChannels via a "Finger in the Dam" Mechanism.
Cell Chem Biol, 2020
6MLX
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BU of 6mlx by Molmil
Crystal structure of T. pallidum Leucine Rich Repeat protein (TpLRR)
Descriptor: Leucine-rich repeat protein TpLRR
Authors:Ramaswamy, R, Loveless, B.C, Houston, S, Cameron, C.E, Boulanger, M.J.
Deposit date:2018-09-28
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization of Treponema pallidum Tp0225 reveals an unexpected leucine-rich repeat architecture.
Acta Crystallogr.,Sect.F, 75, 2019
8DA9
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BU of 8da9 by Molmil
Coevolved affibody-Z domain pair LL2.c3
Descriptor: Affibody LL2.FIIV, GLYCEROL, Immunoglobulin G-binding protein A, ...
Authors:Jude, K.M, Yang, A, Garcia, K.C.
Deposit date:2022-06-13
Release date:2023-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
7OND
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BU of 7ond by Molmil
HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridine Dye
Descriptor: 4-[(E)-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-N,N-dimethyl-aniline, CHLORIDE ION, Haloalkane dehalogenase, ...
Authors:Stein, A, Liang, A.D.
Deposit date:2021-05-25
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridium Dye.
Chembiochem, 22, 2021
8DA6
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BU of 8da6 by Molmil
Coevolved affibody-Z domain pair LL1.c5
Descriptor: Affibody LL1.FIIM, Immunoglobulin G-binding protein A
Authors:Jude, K.M, Yang, A, Garcia, K.C.
Deposit date:2022-06-13
Release date:2023-07-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
6AW0
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BU of 6aw0 by Molmil
Crystal structure of CEACAM3 L44Q
Descriptor: CHLORIDE ION, Carcinoembryonic antigen-related cell adhesion molecule 3, GLYCEROL, ...
Authors:Bonsor, D.A, Sundberg, E.J.
Deposit date:2017-09-05
Release date:2018-05-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:TheHelicobacter pyloriadhesin protein HopQ exploits the dimer interface of human CEACAMs to facilitate translocation of the oncoprotein CagA.
EMBO J., 37, 2018
6PB3
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BU of 6pb3 by Molmil
Structure of Rhizobiales Trip13
Descriptor: Rhizobiales Sp. Pch2, SULFATE ION
Authors:Ye, Q, Corbett, K.D.
Deposit date:2019-06-12
Release date:2019-12-25
Last modified:2020-03-04
Method:X-RAY DIFFRACTION (2.048 Å)
Cite:HORMA Domain Proteins and a Trip13-like ATPase Regulate Bacterial cGAS-like Enzymes to Mediate Bacteriophage Immunity.
Mol.Cell, 77, 2020
7TMF
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BU of 7tmf by Molmil
Crystal Structure of NAD(P)H nitroreductase from Klebsiella pneumoniae (short b-axis)
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-01-19
Release date:2022-02-02
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structures of NAD(P)H nitroreductases from Klebsiella pneumoniae
Acta Crystallogr.,Sect.F, F80, 2024
8Q1V
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BU of 8q1v by Molmil
TtX183A - A c-type cytochrome domain from the Teredinibacter turnerae protein TERTU_2913
Descriptor: CHLORIDE ION, HEME C, Putative lipoprotein
Authors:Rajagopal, B.S, Hemsworth, G.R.
Deposit date:2023-08-01
Release date:2024-03-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural dissection of two redox proteins from the shipworm symbiont Teredinibacter turnerae.
Iucrj, 11, 2024
7VYZ
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BU of 7vyz by Molmil
Structure of the M. tuberculosis HtrA S367A mutant
Descriptor: Probable serine protease HtrA1
Authors:Gupta, A.K, Gopal, B.
Deposit date:2021-11-15
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
5AHE
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BU of 5ahe by Molmil
Crystal structure of Salmonella enterica HisA
Descriptor: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Soderholm, A, Guo, X, Newton, M.S, Evans, G.B, Nasvall, J, Patrick, W.M, Selmer, M.
Deposit date:2015-02-05
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Two-Step Ligand Binding in a Beta/Alpha8 Barrel Enzyme -Substrate-Bound Structures Shed New Light on the Catalytic Cycle of Hisa
J.Biol.Chem., 290, 2015
7TMV
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BU of 7tmv by Molmil
Crystal structure of a Putative structural protein from Klebsiella pneumoniae
Descriptor: Putative structural protein, ZINC ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-01-20
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a Putative structural protein from Klebsiella pneumoniae
To be published
6AW7
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BU of 6aw7 by Molmil
2.15A resolution structure of SAH bound catechol O-methyltransferase (COMT) from Nannospalax galili
Descriptor: CALCIUM ION, Catechol O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution
To be published
8DA8
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BU of 8da8 by Molmil
Coevolved affibody-Z domain pair LL2.c1
Descriptor: Affibody LL2.FIIK, GLYCEROL, Immunoglobulin G-binding protein A
Authors:Jude, K.M, Yang, A, Garcia, K.C.
Deposit date:2022-06-13
Release date:2023-07-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
7ORF
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BU of 7orf by Molmil
Crystal structure of JNK3 in complex with FMU-001-367 (compound 1)
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 10, ...
Authors:Chaikuad, A, Koch, P, Laufer, S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-06-05
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Controlling the Covalent Reactivity of a Kinase Inhibitor with Light.
Angew.Chem.Int.Ed.Engl., 60, 2021
8DA7
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BU of 8da7 by Molmil
Coevolved affibody-Z domain pair LL1.c6
Descriptor: Immunoglobulin G-binding protein A, MALONATE ION, affibody LL1.FIFV
Authors:Jude, K.M, Yang, A, Garcia, K.C.
Deposit date:2022-06-13
Release date:2023-07-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Science, 381, 2023
5ADZ
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BU of 5adz by Molmil
Ether Lipid-Generating Enzyme AGPS in complex with inhibitor 1a
Descriptor: (3S)-3-(2-fluorophenyl)-N-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)methyl)butanamide), ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, ...
Authors:Piano, V, Benjamin, D.I, Valente, S, Nenci, S, Marrocco, B, Mai, A, Aliverti, A, Nomura, D.K, Mattevi, A.
Deposit date:2015-08-25
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Inhibitors for the Ether Lipid-Generating Enzyme Agps as Anti-Cancer Agents.
Acs Chem.Biol., 10, 2015
7TMG
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BU of 7tmg by Molmil
Crystal Structure of NAD(P)H nitroreductase from Klebsiella pneumoniae (long b-axis)
Descriptor: FLAVIN MONONUCLEOTIDE, NAD(P)H nitroreductase, PHOSPHATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-01-19
Release date:2022-02-02
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of NAD(P)H nitroreductases from Klebsiella pneumoniae
Acta Crystallogr.,Sect.F, F80, 2024
8Q28
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BU of 8q28 by Molmil
Se-Met labelled TtX122A - A domain of unknown function from the Teredinibacter turnerae protein TERTU_3803
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Gluconolactonase domain protein, ...
Authors:Rajagopal, B.S, Hemsworth, G.R.
Deposit date:2023-08-01
Release date:2024-03-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural dissection of two redox proteins from the shipworm symbiont Teredinibacter turnerae.
Iucrj, 11, 2024

224004

數據於2024-08-21公開中

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