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7JQ3
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BU of 7jq3 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI6
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
2YLW
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BU of 2ylw by Molmil
SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: Arg337Lys MUTANT IN COMPLEX WITH MES
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A.
登録日2011-06-06
公開日2011-06-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization.
J.Biol.Chem., 286, 2011
5FSR
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BU of 5fsr by Molmil
Crystal structure of penicillin binding protein 6B from Escherichia coli
分子名称: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE DACD
著者Peters, K, Kannan, S, Rao, V.A, Bilboy, J, Vollmer, D, Erickson, S.W, Lewis, R.J, Young, K.D, Vollmer, W.
登録日2016-01-07
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Redundancy of Peptidoglycan Carboxypeptidases Ensures Robust Cell Shape Maintenance in Escherichia Coli
Mbio, 7, 2016
7JR3
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BU of 7jr3 by Molmil
SARS-CoV-2 3CL protease crystallized under reducing conditions
分子名称: 3C-like proteinase
著者de Oliveira, R.R, Nascimento, A.F.Z, Zeri, A.C.M, Trivella, D.B.B.
登録日2020-08-11
公開日2020-08-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献SARS-CoV-2 3CL protease crystallized under reducing conditions.
To be Published
5FMV
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BU of 5fmv by Molmil
Crystal structure of human CD45 extracellular region, domains d1-d4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C, SULFATE ION
著者Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J.
登録日2015-11-09
公開日2016-03-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'.
Nat.Immunol., 17, 2016
5AEK
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BU of 5aek by Molmil
Crystal structure of the human SENP2 C548S in complex with the human SUMO1 K48M F66W
分子名称: SENTRIN-SPECIFIC PROTEASE 2, SMALL UBIQUITIN-RELATED MODIFIER 1
著者Gallego, P, Grana-Montes, R, Espargaro, A, Castillo, V, Torrent, J, Lange, R, Papaleo, E, Lindorff-Larsend, K, Ventura, S, Reverter, D.
登録日2014-12-23
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Stepping Back and Forward on Sumo Folding Evolution
To be Published
2YO3
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BU of 2yo3 by Molmil
Salmonella enterica SadA 1185-1386 fused to GCN4 adaptors (SadAK14)
分子名称: CHLORIDE ION, GENERAL CONTROL PROTEIN GCN4, PUTATIVE INNER MEMBRANE PROTEIN
著者Hartmann, M.D, Hernandez Alvarez, B, Lupas, A.N.
登録日2012-10-20
公開日2012-12-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Complete Fiber Structures of Complex Trimeric Autotransporter Adhesins Conserved in Enterobacteria.
Proc.Natl.Acad.Sci.USA, 109, 2012
2UVW
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BU of 2uvw by Molmil
Crystal structures of mutant Dpo4 DNA polymerases with 8-oxoG containing DNA template-primer constructs
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*A)-3', 5'-D(*TP*CP*AP*CP*8OGP*GP*AP*AP*TP*CP *CP*TP*TP*CP*CP*CP*CP*C)-3', ...
著者Irimia, A, Egli, M.
登録日2007-03-14
公開日2007-05-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Hydrogen Bonding of 7,8-Dihydro-8-Oxodeoxyguanosine with a Charged Residue in the Little Finger Domain Determines Miscoding Events in Sulfolobus Solfataricus DNA Polymerase Dpo4.
J.Biol.Chem., 282, 2007
7JSE
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BU of 7jse by Molmil
Adeno-Associated Virus Origin Binding Domain in complex with ssDNA
分子名称: DNA (5'-D(*TP*TP*TP*T)-3'), Protein Rep68
著者Escalante, C.R.
登録日2020-08-14
公開日2020-12-09
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献The Cryo-EM structure of AAV2 Rep68 in complex with ssDNA reveals a malleable AAA+ machine that can switch between oligomeric states.
Nucleic Acids Res., 48, 2020
7QXR
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BU of 7qxr by Molmil
Azacoelenterazine-bound Renilla-type luciferase (AncFT)
分子名称: 3-(4-hydroxyphenyl)-8-[(4-hydroxyphenyl)methyl]-5-(phenylmethyl)-1$l^{4},4,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, Fragment transplantation onto a hyperstable ancestor of haloalkane dehalogenases and Renilla luciferase (Anc-FT)
著者Marek, M, Schenkmayerova, A, Janin, Y.L.
登録日2022-01-27
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.052 Å)
主引用文献Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
7QXQ
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BU of 7qxq by Molmil
Coelenteramide-bound Renilla-type luciferase (AncFT)
分子名称: Fragment transplantation onto hyperstable ancestor of haloalkane dehalogenases and Renilla luciferase (Anc-FT), N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE
著者Marek, M, Schenkmayerova, A.
登録日2022-01-27
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
2BR2
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BU of 2br2 by Molmil
RNase PH core of the archaeal exosome
分子名称: CHLORIDE ION, EXOSOME COMPLEX EXONUCLEASE 1, EXOSOME COMPLEX EXONUCLEASE 2
著者lorentzen, E, Fribourg, S, Conti, E.
登録日2005-04-30
公開日2005-06-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Archaeal Exosome Core is a Hexameric Ring Structure with Three Catalytic Subunits.
Nat.Struct.Mol.Biol., 12, 2005
5AFY
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BU of 5afy by Molmil
Thrombin in complex with 3-chloro-benzamide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-CHLORO-BENZAMIDE, DIMETHYL SULFOXIDE, ...
著者Ruehmann, E, Heine, A, Klebe, G.
登録日2015-01-27
公開日2015-08-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Fragments Can Bind Either More Enthalpy or Entropy-Driven: Crystal Structures and Residual Hydration Pattern Suggest Why.
J.Med.Chem., 58, 2015
7QB2
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BU of 7qb2 by Molmil
Pim1 in complex with (E)-4-((6-amino-1-methyl-2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide
分子名称: 4-[(E)-(6-azanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Pimtide, ...
著者Hochban, P.M.M, Heine, A, Diederich, W.E.
登録日2021-11-18
公開日2022-11-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023
2X4N
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BU of 2x4n by Molmil
Crystal structure of MHC CLass I HLA-A2.1 bound to residual fragments of a photocleavable peptide that is cleaved upon UV-light treatment
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ...
著者Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M.
登録日2010-02-02
公開日2010-03-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals.
J.Am.Chem.Soc., 131, 2009
1PDI
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BU of 1pdi by Molmil
Fitting of the C-terminal part of the short tail fibers into the cryo-EM reconstruction of T4 baseplate
分子名称: Short tail fiber protein
著者Kostyuchenko, V.A, Leiman, P.G, Chipman, P.R, Kanamaru, S, van Raaij, M.J, Arisaka, F, Mesyanzhinov, V.V, Rossmann, M.G.
登録日2003-05-19
公開日2003-09-09
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (12 Å)
主引用文献Three-dimensional structure of bacteriophage T4 baseplate
Nat.Struct.Biol., 10, 2003
2YQ8
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BU of 2yq8 by Molmil
Crystal structure of the SeMet-labeled N-terminal domain and peptide substrate binding domain of alpha subunit of prolyl-4 hydroxylase type I from human.
分子名称: PROLYL 4-HYDROXYLASE SUBUNIT ALPHA-1
著者Anantharajan, J, Koski, M.K, Wierenga, R.K.
登録日2012-11-06
公開日2013-10-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.987 Å)
主引用文献The Structural Motifs for Substrate Binding and Dimerization of the Alpha Subunit of Collagen Prolyl 4-Hydroxylase
Structure, 21, 2013
4N2S
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BU of 4n2s by Molmil
Crystal Structure of THA8 in complex with Zm1a-6 RNA
分子名称: THA8 RNA binding protein, Zm1a-6 RNA
著者Ke, J, Chen, R.Z, Ban, T, Zhou, X.E, Gu, X, Brunzelle, J.S, Zhu, J.K, Melcher, K, Xu, H.E.
登録日2013-10-06
公開日2013-10-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for RNA recognition by a dimeric PPR-protein complex.
Nat.Struct.Mol.Biol., 20, 2013
4GF7
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BU of 4gf7 by Molmil
Crystal structure of 2-Methyl-3-hydroxypyridine-5-carboxylic acid oxygenase (MHPCO), unliganded form
分子名称: 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ...
著者Kobayashi, J, Yoshida, H, Mikami, B, Hayashi, H, Kamitori, S, Sawa, Y, Yagi, T.
登録日2012-08-03
公開日2013-08-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.581 Å)
主引用文献Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase
To be Published
8W7F
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BU of 8w7f by Molmil
Structure of Drosophila melanogaster L-2-hydroxyglutarate dehydrogenase bound with FAD and a sulfate ion
分子名称: DODECYL-BETA-D-MALTOSIDE, FI05204p, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Yang, J, Chen, X, Jin, S, Ding, J.
登録日2023-08-30
公開日2023-11-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Structure and biochemical characterization of l-2-hydroxyglutarate dehydrogenase and its role in the pathogenesis of l-2-hydroxyglutaric aciduria.
J.Biol.Chem., 300, 2023
2BOV
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BU of 2bov by Molmil
Molecular recognition of an ADP-ribosylating Clostridium botulinum C3 exoenzyme by RalA GTPase
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MONO-ADP-RIBOSYLTRANSFERASE C3, ...
著者Holbourn, K.P, Sutton, J.M, Evans, H.R, Shone, C.C, Acharya, K.R.
登録日2005-04-14
公開日2005-04-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Molecular Recognition of an Adp-Ribosylating Clostridium Botulinum C3 Exoenzyme by Rala Gtpase
Proc.Natl.Acad.Sci.USA, 102, 2005
3DQN
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BU of 3dqn by Molmil
Structure of the Yellow Fluorescent Protein Citrine Frozen at 500 Atmospheres: Structure 3 in a Series of 26 High Pressure Structures
分子名称: Green fluorescent protein
著者Barstow, B, Kim, C.U.
登録日2008-07-09
公開日2008-09-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Alteration of citrine structure by hydrostatic pressure explains the accompanying spectral shift.
Proc.Natl.Acad.Sci.Usa, 105, 2008
5FQL
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BU of 5fql by Molmil
Insights into Hunter syndrome from the structure of iduronate-2- sulfatase
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Demydchuk, M, Hill, C.H, Zhou, A, Bunkoczi, G, Stein, P.E, Marchesan, D, Deane, J.E, Read, R.J.
登録日2015-12-11
公開日2017-01-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Insights into Hunter syndrome from the structure of iduronate-2-sulfatase.
Nat Commun, 8, 2017
2BXC
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BU of 2bxc by Molmil
Human serum albumin complexed with phenylbutazone
分子名称: 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE, SERUM ALBUMIN
著者Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S.
登録日2005-07-26
公開日2005-09-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
2YQ6
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BU of 2yq6 by Molmil
Structure of Bcl-xL bound to BimSAHB
分子名称: BCL-2-LIKE PROTEIN 1, BIM BETA 5, GLYCEROL
著者Smith, B.J, Czabotar, P.E.
登録日2012-11-06
公開日2012-11-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Stabilizing the Pro-Apoptotic Bimbh3 Helix (Bimsahb) Does not Necessarily Enhance Affinity or Biological Activity.
Acs Chem.Biol., 8, 2013

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