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6TE8
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BU of 6te8 by Molmil
Neck of native GTA particle computed with C12 symmetry
分子名称: Adaptor protein Rcc01688, Phage portal protein, HK97 family
著者Bardy, P, Fuzik, T, Hrebik, D, Pantucek, R, Beatty, J.T, Plevka, P.
登録日2019-11-11
公開日2020-07-22
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Structure and mechanism of DNA delivery of a gene transfer agent.
Nat Commun, 11, 2020
6TEB
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BU of 6teb by Molmil
Tail-baseplate interface of native GTA particle computed with C6 symmetry
分子名称: Distal tail protein Rcc01695, Tail tube protein Rcc01691
著者Bardy, P, Fuzik, T, Hrebik, D, Pantucek, R, Beatty, J.T, Plevka, P.
登録日2019-11-11
公開日2020-07-22
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4.14 Å)
主引用文献Structure and mechanism of DNA delivery of a gene transfer agent.
Nat Commun, 11, 2020
6TFA
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BU of 6tfa by Molmil
Structure of the engineered retro-aldolase RA95.5-8F F112L
分子名称: F112L RA95.5-8F
著者Klaus, C, Macdonald, D.S, Hilvert, D.
登録日2019-11-13
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.163 Å)
主引用文献Engineered Artificial Carboligases Facilitate Regioselective Preparation of Enantioenriched Aldol Adducts.
J.Am.Chem.Soc., 142, 2020
4UJ8
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BU of 4uj8 by Molmil
Structure of surface layer protein SbsC, domains 6-7
分子名称: CALCIUM ION, SURFACE LAYER PROTEIN
著者Dordic, A, Pavkov-Keller, T, Eder, M, Egelseer, E.M, Davis, K, Mills, D, Sleytr, U.B, Kuehlbrandt, W, Vonck, J, Keller, W.
登録日2015-04-08
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of Surface Layer Protein Sbsc
To be Published
5Q0B
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BU of 5q0b by Molmil
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(4-bromo-3-methyl-1,2-thiazol-5-yl)-3-(3-methylphenyl)sulfonylurea
分子名称: Fructose-1,6-bisphosphatase 1, N-[(4-bromo-3-methyl-1,2-thiazol-5-yl)carbamoyl]-3-methylbenzene-1-sulfonamide
著者Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
登録日2017-04-18
公開日2019-01-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(4-bromo-3-methyl-1,2-thiazol-5-yl)-3-(3-methylphenyl)sulfonylurea
To be published
6TL0
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BU of 6tl0 by Molmil
Solution structure and 1H, 13C and 15N chemical shift assignments for the complex of VPS29 with VARP 687-747
分子名称: Ankyrin repeat domain-containing protein 27, Vacuolar protein sorting-associated protein 29, ZINC ION
著者Owen, D.J, Neuhaus, D, Yang, J.-C, Crawley-Snowdon, H.
登録日2019-11-29
公開日2020-10-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Mechanism and evolution of the Zn-fingernail required for interaction of VARP with VPS29.
Nat Commun, 11, 2020
4UD7
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BU of 4ud7 by Molmil
Structure of the stapled peptide YS-02 bound to MDM2
分子名称: MDM2, YS-02
著者Tan, Y.S, Reeks, J, Brown, C.J, Jennings, C.E, Eapen, R.S, Tng, Q.S, Thean, D, Ying, Y.T, Gago, F.J.F, Lane, D.P, Noble, M.E.M, Verma, C.
登録日2014-12-08
公開日2016-01-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design.
J Phys Chem Lett, 7, 2016
4UE1
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BU of 4ue1 by Molmil
Structure of the stapled peptide YS-01 bound to MDM2
分子名称: E3 UBIQUITIN-PROTEIN LIGASE MDM2, YS-01
著者Tan, Y.S, Reeks, J, Brown, C.J, Jennings, C.E, Eapen, R.S, Tng, Q.S, Thean, D, Ying, Y.T, Gago, F.J.F, Lane, D.P, Noble, M.E.M, Verma, C.
登録日2014-12-14
公開日2016-01-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design.
J Phys Chem Lett, 7, 2016
6TOA
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BU of 6toa by Molmil
Neck of empty GTA particle computed with C6 symmetry
分子名称: Adaptor protein Rcc01688, Portal protein Rcc01684, Stopper protein Rcc01689, ...
著者Bardy, P, Fuzik, T, Hrebik, D, Pantucek, R, Beatty, J.T, Plevka, P.
登録日2019-12-11
公開日2020-07-22
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Structure and mechanism of DNA delivery of a gene transfer agent.
Nat Commun, 11, 2020
6TAX
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BU of 6tax by Molmil
Mouse RNF213 wild type protein
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNF213,E3 ubiquitin-protein ligase RNF213,E3 ubiquitin-protein ligase RNF213, ...
著者Ahel, J, Meinhart, A, Haselbach, D, Clausen, T.
登録日2019-10-31
公開日2020-07-01
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Moyamoya disease factor RNF213 is a giant E3 ligase with a dynein-like core and a distinct ubiquitin-transfer mechanism.
Elife, 9, 2020
4UDD
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BU of 4udd by Molmil
GR in complex with desisobutyrylciclesonide
分子名称: 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DESISOBUYTYRYL CICLESONIDE, ...
著者Edman, K, Hogner, A, Hussein, A, Bjursell, M, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, Jellesmark-Jensen, T, Cavallin, A, Karlsson, U, Nilsson, E, Lecina, D, Takahashi, R, Grebner, C, Lepisto, M, Guallar, V.
登録日2014-12-09
公開日2015-11-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
6TDA
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BU of 6tda by Molmil
Structure of SWI/SNF chromatin remodeler RSC bound to a nucleosome
分子名称: Actin-like protein ARP9, Actin-related protein 7, Chromatin structure-remodeling complex protein RSC58, ...
著者Wagner, F.R, Dienemann, C, Wang, H, Stuetzer, A, Tegunov, D, Urlaub, H, Cramer, P.
登録日2019-11-08
公開日2020-03-18
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (15 Å)
主引用文献Structure of SWI/SNF chromatin remodeller RSC bound to a nucleosome.
Nature, 579, 2020
6TE9
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BU of 6te9 by Molmil
Neck of native GTA particle computed with C6 symmetry
分子名称: Adaptor protein Rcc01688, Phage major tail protein, TP901-1 family, ...
著者Bardy, P, Fuzik, T, Hrebik, D, Pantucek, R, Beatty, J.T, Plevka, P.
登録日2019-11-11
公開日2020-07-22
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献Structure and mechanism of DNA delivery of a gene transfer agent.
Nat Commun, 11, 2020
4UFN
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BU of 4ufn by Molmil
Laboratory evolved variant R-C1B1 of potato epoxide hydrolase StEH1
分子名称: 1,4-DIETHYLENE DIOXIDE, EPOXIDE HYDROLASE
著者Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M.
登録日2015-03-17
公開日2016-04-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational Diversity and Enantioconvergence in Potato Epoxide Hydrolase 1.
Org.Biomol.Chem., 14, 2016
6TTW
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BU of 6ttw by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 4 (ASI_M3M_047)
分子名称: (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-piperidin-4-yl-oxolane-2-carboxamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-12-30
公開日2020-03-04
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
4UEZ
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BU of 4uez by Molmil
Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with the PHOSPHINIC INHIBITOR Acetyl-Leu-Phe-Y(PO2CH2)-Phe-OH
分子名称: (2S)-3-[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]-2-benzylpropanoic acid, HUMAN CARBOXYPEPTIDASE A1, ZINC ION
著者Gallego, P, Covaleda, G, Costenaro, L, Devel, L, Dive, V, Aviles, F.X, Reverter, D.
登録日2014-12-22
公開日2016-01-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal Structure of the Human Carboxypeptidase A1 in Complex with Phosphinic Inhibitors
To be Published
6TFZ
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BU of 6tfz by Molmil
Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 19
分子名称: 1,2-ETHANEDIOL, Epidermal growth factor receptor, SULFATE ION, ...
著者Niggenaber, J, Mueller, M.P, Rauh, D.
登録日2019-11-14
公開日2020-09-30
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach.
J.Med.Chem., 63, 2020
6TG7
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BU of 6tg7 by Molmil
Crystal structure of the CheY in presence of magnesium
分子名称: Chemotaxis protein CheY, MAGNESIUM ION
著者Camara-Artigas, A, Salinas-Garcia, M.C, Alba-Elena, D.
登録日2019-11-15
公開日2019-12-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the CheY in presence of magnesium
To be published
4UDC
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BU of 4udc by Molmil
GR in complex with dexamethasone
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DEXAMETHASONE, GLUCOCORTICOID RECEPTOR, ...
著者Edman, K, Hogner, A, Hussein, A, Bjursell, M, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, Jellesmark-Jensen, T, Cavallin, A, Karlsson, U, Nilsson, E, Lecina, D, Takahashi, R, Grebner, C, Lepisto, M, Guallar, V.
登録日2014-12-09
公開日2015-11-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
4UDA
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BU of 4uda by Molmil
MR in complex with dexamethasone
分子名称: DEXAMETHASONE, GLYCEROL, MINERALOCORTICOID RECEPTOR, ...
著者Edman, K, Hogner, A, Hussein, A, Bjursell, M, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, Jellesmark-Jensen, T, Cavallin, A, Karlsson, U, Nilsson, E, Lecina, D, Takahashi, R, Grebner, C, Lepisto, M, Guallar, V.
登録日2014-12-09
公開日2015-11-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
4UFO
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BU of 4ufo by Molmil
Laboratory evolved variant R-C1B1D33E6 of potato epoxide hydrolase StEH1
分子名称: EPOXIDE HYDROLASE
著者Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M.
登録日2015-03-17
公開日2016-04-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Laboratory Evolved Enzymes Provide Snapshots of the Development of Enantioconvergence in Enzyme-Catalyzed Epoxide Hydrolysis.
Chembiochem, 17, 2016
6TLJ
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BU of 6tlj by Molmil
Cryo-EM structure of the Anaphase-promoting complex/Cyclosome, in complex with the Mitotic checkpoint complex (APC/C-MCC) at 3.8 angstrom resolution
分子名称: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
著者Alfieri, C, Barford, D.
登録日2019-12-02
公開日2020-02-19
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献A unique binding mode of Nek2A to the APC/C allows its ubiquitination during prometaphase.
Embo Rep., 21, 2020
6TSQ
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BU of 6tsq by Molmil
Marasmius oreades agglutinin (MOA) activated by manganese (II)
分子名称: 1,2-ETHANEDIOL, Agglutinin, CALCIUM ION, ...
著者Cordara, G, Manna, D, Krengel, U.
登録日2019-12-21
公開日2020-07-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of MOA in complex with a peptide fragment: A protease caught in flagranti .
Curr Res Struct Biol, 2, 2020
4UJ7
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BU of 4uj7 by Molmil
Structure of the S-layer protein SbsC, domains 5-6
分子名称: CALCIUM ION, SURFACE LAYER PROTEIN
著者Dordic, A, Pavkov-Keller, T, Eder, M, Egelseer, E.M, Davis, K, Mills, D, Sleytr, U.B, Kuehlbrandt, W, Vonck, J, Keller, W.
登録日2015-04-08
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structure of the S-Layer Protein Sbsc, Domains 5-6
To be Published
6TTY
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BU of 6tty by Molmil
Structure of ClpP from Staphylococcus aureus (apo, closed state)
分子名称: ATP-dependent Clp protease proteolytic subunit
著者Malik, I.T, Pereira, R, Vielberg, M.-T, Mayer, C, Straetener, J, Thomy, D, Famulla, K, Castro, H.C, Sass, P, Groll, M, Broetz-Oesterheldt, H.
登録日2019-12-30
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Functional Characterisation of ClpP Mutations Conferring Resistance to Acyldepsipeptide Antibiotics in Firmicutes.
Chembiochem, 21, 2020

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