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6GT0
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BU of 6gt0 by Molmil
Nitrite-bound copper nitrite reductase from Achromobacter cycloclastes determined by serial femtosecond rotation crystallography
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION, ...
著者Halsted, T.P, Yamashita, K, Gopalasingam, C.C, Shenoy, R.T, Hirata, K, Ago, H, Ueno, G, Eady, R.R, Antonyuk, S.V, Yamamoto, M, Hasnain, S.S.
登録日2018-06-15
公開日2019-07-03
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Catalytically important damage-free structures of a copper nitrite reductase obtained by femtosecond X-ray laser and room-temperature neutron crystallography.
Iucrj, 6, 2019
6D7G
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BU of 6d7g by Molmil
Structure of 5F3 TCR in complex with HLA-A2/MART-1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MART1 PEPTIDE-BETA-2-MICROGLOBULIN-HLA-A*02 CHIMERA, T-CELL RECEPTOR GAMMA VARIABLE 8,T-CELL RECEPTOR GAMMA-2 CHAIN C REGION, ...
著者Roy, S, Adams, E.J.
登録日2018-04-24
公開日2019-01-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Generation and molecular recognition of melanoma-associated antigen-specific human gamma delta T cells.
Sci Immunol, 3, 2018
8XW6
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BU of 8xw6 by Molmil
Crystal structure of Streptococcus pneumoniae pyruvate kinase in complex with oxalate and fructose 1,6-bisphosphate and ATP
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Nakashima, R, Taguchi, A.
登録日2024-01-16
公開日2024-07-31
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural Basis of Nucleotide Selectivity in Pyruvate Kinase.
J.Mol.Biol., 436, 2024
6P2V
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BU of 6p2v by Molmil
RebH Variant 10S, Tryptamine 5-halogenase
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent tryptophan halogenase RebH
著者Andorfer, M.C, Sukumar, N, Lewis, J.C.
登録日2019-05-22
公開日2020-05-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.553 Å)
主引用文献Structural and Computational Analysis of Laboratory-Evolved Halogenases Reveals Molecular Details of Site-Selectivity
To Be Published
5J4E
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BU of 5j4e by Molmil
Crystal structures reveal signaling states of a short blue light photoreceptor protein PpSB1-LOV (Photoexcited state)
分子名称: FLAVIN MONONUCLEOTIDE, Sensory box protein
著者Granzin, J, Batra-Safferling, R.
登録日2016-04-01
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Signaling States of a Short Blue-Light Photoreceptor Protein PpSB1-LOV Revealed from Crystal Structures and Solution NMR Spectroscopy.
J.Mol.Biol., 428, 2016
8BBI
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BU of 8bbi by Molmil
Crystal structure of Xyn11 double mutant L271S, K275H from Psedothermotoga thermarum
分子名称: 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-xylanase, GLYCEROL
著者Cea-Rama, I, Sanz-Aparicio, J.
登録日2022-10-13
公開日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of Xyn11 double mutant L271S, K275H from Pseudothermotoga thermarum
To be published
5JKN
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BU of 5jkn by Molmil
Crystal structure of deubiquitinase MINDY-1
分子名称: DI(HYDROXYETHYL)ETHER, MERCURY (II) ION, PHOSPHATE ION, ...
著者Abdul Rehman, S.A, Kulathu, Y.
登録日2016-04-26
公開日2016-06-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献MINDY-1 Is a Member of an Evolutionarily Conserved and Structurally Distinct New Family of Deubiquitinating Enzymes.
Mol.Cell, 63, 2016
2NLS
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BU of 2nls by Molmil
Human beta-defensin-1 (Mutant Gln24Ala)
分子名称: Beta-defensin 1
著者Lubkowski, J, Pazgier, M.
登録日2006-10-20
公開日2006-10-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Studies of the Biological Properties of Human beta-Defensin 1.
J.Biol.Chem., 282, 2007
6GAY
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BU of 6gay by Molmil
A fast recovering full-length LOV protein (DsLOV) from the marine phototrophic bacterium Dinoroseobacter shibae (Dark state) - M49I mutant
分子名称: FLAVIN MONONUCLEOTIDE, Putative blue-light photoreceptor, SULFATE ION
著者Granzin, J, Batra-Safferling, R, Roellen, K.
登録日2018-04-13
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Mechanistic Basis of the Fast Dark Recovery of the Short LOV Protein DsLOV from Dinoroseobacter shibae.
Biochemistry, 57, 2018
8WYY
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BU of 8wyy by Molmil
Open falcilysin, from free falcilysin dataset
分子名称: Falcilysin, ZINC ION
著者Lin, J.Q, Yan, X.F, Lescar, J.
登録日2023-10-31
公開日2024-08-07
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Open falcilysin, from free falcilysin dataset
To Be Published
6FTB
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BU of 6ftb by Molmil
Staphylococcus aureus monofunctional glycosyltransferase in complex with moenomycin
分子名称: (2R)-2,3-dihydroxypropyl dodecanoate, 1,2-ETHANEDIOL, MOENOMYCIN, ...
著者Punekar, A.S, Dowson, C.J, Roper, D.I.
登録日2018-02-20
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The role of the jaw subdomain of peptidoglycan glycosyltransferases for lipid II polymerization.
Cell Surf, 2, 2018
8WYU
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BU of 8wyu by Molmil
Open Falcilysin, from MK-4815-treated dataset
分子名称: Falcilysin, ZINC ION
著者Lin, J.Q, Yan, X.F, Lescar, J.
登録日2023-10-31
公開日2024-08-07
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Open Falcilysin, from MK-4815-treated dataset
To Be Published
8BG2
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BU of 8bg2 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with pT1580 scFV
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, pT1375 single-chain Fv
著者Hansen, G, Ssebyatika, G.L, Krey, T.
登録日2022-10-27
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Activity of broadly neutralizing antibodies against sarbecoviruses: a trade-off between SARS-CoV-2 variants and distant coronaviruses?
To be published
6P6W
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BU of 6p6w by Molmil
Cryo-EM structure of voltage-gated sodium channel NavAb N49K/L109A/M116V/G94C/Q150C disulfide crosslinked mutant in the resting state
分子名称: Fusion of Maltose-binding protein and voltage-gated sodium channel NavAb
著者Wisedchaisri, G, Tonggu, L, McCord, E, Gamal El-Din, T.M, Wang, L, Zheng, N, Catterall, W.A.
登録日2019-06-04
公開日2019-08-14
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Resting-State Structure and Gating Mechanism of a Voltage-Gated Sodium Channel.
Cell, 178, 2019
8WYT
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BU of 8wyt by Molmil
Partially closed Falcilysin bound to MK-4815, from MK-4815-treated dataset
分子名称: 2-(aminomethyl)-3,5-ditert-butyl-phenol, Falcilysin, ZINC ION
著者Lin, J.Q, Yan, X.F, Lescar, J.
登録日2023-10-31
公開日2024-08-07
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Partially closed Falcilysin bound to MK-4815, from MK-4815-treated dataset
To Be Published
6D86
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BU of 6d86 by Molmil
Structure of the Bovine p85a BH domain
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, SULFATE ION
著者Moore, S.A, Marshall, J.D, Anderson, D.H.
登録日2018-04-25
公開日2018-05-23
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Patient-derived mutations within the N-terminal domains of p85 alpha impact PTEN or Rab5 binding and regulation.
Sci Rep, 8, 2018
8Y7F
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BU of 8y7f by Molmil
Crystal structure of CARF domain-truncated Csx1-Crn2 from Marinitoga sp.
分子名称: CRISPR-associated protein
著者Zhang, D, Yuan, C, Lin, Z.
登録日2024-02-04
公開日2024-07-17
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural insight into the Csx1-Crn2 fusion self-limiting ribonuclease of type III CRISPR system.
Nucleic Acids Res., 52, 2024
6GC2
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BU of 6gc2 by Molmil
AbLIFT: Antibody stability and affinity optimization by computational design of the variable light-heavy chain interface
分子名称: Heavy chain, Light Chain
著者Warszawski, S, Katz, A, Khmelnitsky, L, Ben Nissan, G, Javitt, G, Dym, O, Unger, T, Knop, O, Diskin, R, Albeck, S, Fass, D, Sharon, M, Fleishman, S.J.
登録日2018-04-17
公開日2019-05-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Optimizing antibody affinity and stability by the automated design of the variable light-heavy chain interfaces.
Plos Comput.Biol., 15, 2019
6FU1
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BU of 6fu1 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a n-alkyl hydroxamate
分子名称: GLYCEROL, Histone deacetylase, POTASSIUM ION, ...
著者Marek, M, Shaik, T.B, Romier, C.
登録日2018-02-26
公開日2019-03-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.548 Å)
主引用文献A Novel Class of Schistosoma mansoni Histone Deacetylase 8 (HDAC8) Inhibitors Identified by Structure-Based Virtual Screening and In Vitro Testing.
Molecules, 23, 2018
6DJE
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BU of 6dje by Molmil
Crystal structure of Tdp1 catalytic domain in complex with Sigma Aldrich compound CDS010292
分子名称: 1,2-ETHANEDIOL, 4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-05-25
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.705 Å)
主引用文献Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
6FUN
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BU of 6fun by Molmil
F11 T-Cell Receptor Recognising PKYVKQNTLKLAT Peptide Presented by HLA-DR*0101
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Human F11 T-Cell Receptor alpha chain, ...
著者Rizkallah, P.J, Cole, D.K.
登録日2018-02-27
公開日2018-04-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献In Silicoand Structural Analyses Demonstrate That Intrinsic Protein Motions Guide T Cell Receptor Complementarity Determining Region Loop Flexibility.
Front Immunol, 9, 2018
8WYX
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BU of 8wyx by Molmil
Partially closed falcilysin, from free falcilysin dataset
分子名称: Falcilysin, ZINC ION
著者Lin, J.Q, Yan, X.F, Lescar, J.
登録日2023-10-31
公開日2024-08-07
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Partially closed falcilysin, from free falcilysin dataset
To Be Published
6DLF
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BU of 6dlf by Molmil
Crystal structure of NTRI homodimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neurotrimin
著者Ranaivoson, F.M, Turk, L.S, Ozkan, E, Montelione, G.T, Comoletti, D.
登録日2018-06-01
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.446 Å)
主引用文献Structure of a heterodimer of neuronal cell surface proteins
Structure, 2019
6PJU
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BU of 6pju by Molmil
Time-resolved structural snapshot of proteolysis by GlpG inside the membrane
分子名称: Peptide aldehyde inhibitor, Rhomboid protease GlpG
著者Urban, S, Cho, S.
登録日2019-06-28
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Ten catalytic snapshots of rhomboid intramembrane proteolysis from gate opening to peptide release.
Nat.Struct.Mol.Biol., 26, 2019
6FYG
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BU of 6fyg by Molmil
The crystal structure of EncM V135T mutant
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Putative FAD-dependent oxygenase EncM
著者Saleem-Batcha, R, Teufel, R.
登録日2018-03-11
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Enzymatic control of dioxygen binding and functionalization of the flavin cofactor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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