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4UBZ
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BU of 4ubz by Molmil
Crystal structure of a prion peptide
分子名称: SODIUM ION, prion peptide
著者Yu, L, Lee, S.-J, Yee, V.
登録日2014-08-13
公開日2015-05-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.001 Å)
主引用文献Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations.
Biochemistry, 54, 2015
4UB1
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BU of 4ub1 by Molmil
DNA polymerase beta product complex with a templating adenine and 8-oxodGMP, 90 s
分子名称: 5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*(8OG))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Freudenthal, B.D, Wilson, S.H, Beard, W.A.
登録日2014-08-11
公開日2014-11-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.341 Å)
主引用文献Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide.
Nature, 517, 2015
6ED1
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BU of 6ed1 by Molmil
Bacteroides dorei Beta-glucuronidase
分子名称: Glycosyl hydrolase family 2, sugar binding domain protein, SODIUM ION
著者Biernat, K.A, Redinbo, M.R.
登録日2018-08-08
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure, function, and inhibition of drug reactivating human gut microbial beta-glucuronidases.
Sci Rep, 9, 2019
7Y8S
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BU of 7y8s by Molmil
Crystal structure of sDscam FNIII1-3 domains, isoform beta2v6
分子名称: Dscam, SODIUM ION
著者Chen, Q, Yu, Y, Cheng, J.
登録日2022-06-24
公開日2023-05-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.696 Å)
主引用文献Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
7Y95
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BU of 7y95 by Molmil
Crystal structure of sDscam Ig1 domain, isoform beta6v2
分子名称: Dscam, GLYCEROL, SODIUM ION
著者Chen, Q, Yu, Y, Cheng, J.
登録日2022-06-24
公開日2023-05-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
4UBW
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BU of 4ubw by Molmil
Apo structure of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis
分子名称: Acetyl-CoA acetyltransferase FadA5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Schaefer, C.M, Kisker, C.
登録日2014-08-13
公開日2014-12-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献FadA5 a Thiolase from Mycobacterium tuberculosis: A Steroid-Binding Pocket Reveals the Potential for Drug Development against Tuberculosis.
Structure, 23, 2015
6XDF
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BU of 6xdf by Molmil
Crystal structure of IRE1a in complex with G-4100
分子名称: 4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide, SODIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Steinbacher, S, Wang, W.
登録日2020-06-10
公開日2021-04-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity.
Acs Med.Chem.Lett., 11, 2020
4UHN
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BU of 4uhn by Molmil
Characterization of a Novel Transaminase from Pseudomonas sp. Strain AAC
分子名称: ACETIC ACID, GLYCEROL, MAGNESIUM ION, ...
著者Wilding, M, Peat, T.S, Newman, J, Scott, C.
登録日2015-03-25
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献A Beta-Alanine Catabolism Pathway Containing a Highly Promiscuous Omega-Transaminase in the 12-Aminododecanate-Degrading Pseudomonas Sp. Strain Aac.
Appl.Environ.Microbiol., 82, 2016
3IC9
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BU of 3ic9 by Molmil
The structure of dihydrolipoamide dehydrogenase from Colwellia psychrerythraea 34H.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION, dihydrolipoamide dehydrogenase
著者Tan, K, Rakowski, E, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-07-17
公開日2009-07-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The structure of dihydrolipoamide dehydrogenase from Colwellia psychrerythraea 34H.
To be Published
6XNF
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BU of 6xnf by Molmil
GCN4-p1 Peptide Trimer with Tetrafluoroiodophenylalanine residue at position 16 (TFI-F16)
分子名称: GCN4-p1 peptide with A16, GCN4-p1 peptide with TFI-F16, SODIUM ION
著者Rowe Hartje, R.K, Czarny, R.S, Ho, A.
登録日2020-07-02
公開日2021-07-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineering Specific Protein-Protein Interactions Through Halogen and Hydrogen Bonds
To Be Published
6EQW
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BU of 6eqw by Molmil
X-ray structure of the proprotein convertase furin bound with the competitive inhibitor 4-aminomethyl-phenylacetyl-Arg-Val-Arg-Amba
分子名称: AMA-ARG-TBG-ARG-00S, CALCIUM ION, CHLORIDE ION, ...
著者Dahms, S.O, Than, M.E.
登録日2017-10-16
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.994 Å)
主引用文献X-ray Structures of the Proprotein Convertase Furin Bound with Substrate Analogue Inhibitors Reveal Substrate Specificity Determinants beyond the S4 Pocket.
Biochemistry, 57, 2018
5B1A
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BU of 5b1a by Molmil
Bovine heart cytochrome c oxidase in the fully oxidized state at 1.5 angstrom resolution
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Yano, N, Muramoto, K, Shimada, A, Takemura, S, Baba, J, Fujisawa, H, Mochizuki, M, Shinzawa-Itoh, K, Yamashita, E, Tsukihara, T, Yoshikawa, S.
登録日2015-12-01
公開日2016-09-14
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Mg2+-containing Water Cluster of Mammalian Cytochrome c Oxidase Collects Four Pumping Proton Equivalents in Each Catalytic Cycle.
J.Biol.Chem., 291, 2016
3VBF
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BU of 3vbf by Molmil
Crystal structure of formaldehyde treated human Enterovirus 71 (space group I23)
分子名称: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Genome Polyprotein, ...
著者Wang, X, Peng, W, Ren, J, Hu, Z, Xu, J, Lou, Z, Li, X, Yin, W, Shen, X, Porta, C, Walter, T.S, Evans, G, Axford, D, Owen, R, Rowlands, D.J, Wang, J, Stuart, D.I, Fry, E.E, Rao, Z.
登録日2012-01-02
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A sensor-adaptor mechanism for enterovirus uncoating from structures of EV71.
Nat.Struct.Mol.Biol., 19, 2012
4UNQ
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BU of 4unq by Molmil
Mtb TMK in complex with compound 36
分子名称: 4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile, SODIUM ION, THYMIDYLATE KINASE
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-30
公開日2015-06-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
3IJ6
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BU of 3ij6 by Molmil
CRYSTAL STRUCTURE OF AN UNCHARACTERIZED METAL-DEPENDENT HYDROLASE FROM Lactobacillus acidophilus
分子名称: SODIUM ION, UNCHARACTERIZED METAL-DEPENDENT HYDROLASE, ZINC ION
著者Patskovsky, Y, Toro, R, Dickey, M, Chang, S, Sauder, J.M, Raushel, F.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-08-03
公開日2009-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献CRYSTAL STRUCTURE OF AN UNCHARACTERIZED METAL-DEPENDENT HYDROLASE FROM Lactobacillus acidopphilus
To be Published
5BMX
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BU of 5bmx by Molmil
Crystal structure of T75N mutant of Triosephosphate isomerase from Plasmodium falciparum
分子名称: 1,2-ETHANEDIOL, SODIUM ION, SULFATE ION, ...
著者Bandyopadhyay, D, Murthy, M.R.N, Balaram, H, Balaram, P.
登録日2015-05-24
公開日2015-07-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Probing the role of highly conserved residues in triosephosphate isomerase - analysis of site specific mutants at positions 64 and 75 in the Plasmodial enzyme
Febs J., 282, 2015
3VBO
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BU of 3vbo by Molmil
Crystal structure of formaldehyde treated empty human Enterovirus 71 particle (cryo at 100K)
分子名称: Genome Polyprotein, capsid protein VP1, capsid protein VP2, ...
著者Wang, X, Peng, W, Ren, J, Hu, Z, Xu, J, Lou, Z, Li, X, Yin, W, Shen, X, Porta, C, Walter, T.S, Evans, G, Axford, D, Owen, R, Rowlands, D.J, Wang, J, Stuart, D.I, Fry, E.E, Rao, Z.
登録日2012-01-02
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献A sensor-adaptor mechanism for enterovirus uncoating from structures of EV71.
Nat.Struct.Mol.Biol., 19, 2012
3PNC
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BU of 3pnc by Molmil
Ternary crystal structure of a polymerase lambda variant with a GT mispair at the primer terminus and sodium at catalytic metal site
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]guanosine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*CP*AP*GP*TP*AP*G)-3', ...
著者Bebenek, K, Pedersen, L.C, Kunkel, T.A.
登録日2010-11-18
公開日2011-02-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Replication infidelity via a mismatch with Watson-Crick geometry.
Proc.Natl.Acad.Sci.USA, 108, 2011
3ISC
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BU of 3isc by Molmil
Binary complex of human DNA polymerase beta with an abasic site (THF) in the gapped DNA
分子名称: 5'-D(*CP*CP*GP*AP*CP*(3DR)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Beard, W.A, Shock, D.D, Batra, V.K, Pedersen, L.C, Wilson, S.H.
登録日2009-08-25
公開日2009-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献DNA polymerase beta substrate specificity: side chain modulation of the "A-rule".
J.Biol.Chem., 284, 2009
6Y76
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BU of 6y76 by Molmil
AP01 - a redesigned transferrin receptor apical domain
分子名称: SODIUM ION, Transferrin receptor protein 1
著者Oberdorfer, G, Berger, S.A, Bjelic, S, Sjostrom, D.J.
登録日2020-02-28
公開日2020-07-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Computational backbone design enables soluble engineering of transferrin receptor apical domain.
Proteins, 88, 2020
8U92
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BU of 8u92 by Molmil
Crystal structure of N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (pyruvate bound, Orthorhombic P form)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-09-18
公開日2023-09-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (pyruvate bound, Orthorhombic P form)
To be published
6EQV
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BU of 6eqv by Molmil
X-ray structure of the proprotein convertase furin bound with the competitive inhibitor Phac-Cit-Val-Arg-Amba
分子名称: CALCIUM ION, CHLORIDE ION, Furin, ...
著者Dahms, S.O, Than, M.E.
登録日2017-10-16
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献X-ray Structures of the Proprotein Convertase Furin Bound with Substrate Analogue Inhibitors Reveal Substrate Specificity Determinants beyond the S4 Pocket.
Biochemistry, 57, 2018
4W96
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BU of 4w96 by Molmil
Crystal structure of cross-linked tetragonal hen egg white lysozyme soaked with 5mM [Ru(CO)3Cl2]2 followed by the reaction in deoxy-myoglobin solution
分子名称: CHLORIDE ION, DIMETHYLFORMAMIDE, Lysozyme C, ...
著者Tabe, H, Fujita, K, Abe, S, Tsujimoto, M, Kuchimaru, T, Kizaka-Kondo, S, Takano, M, Kitagawa, S, Ueno, T.
登録日2014-08-27
公開日2014-12-31
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Preparation of a Cross-Linked Porous Protein Crystal Containing Ru Carbonyl Complexes as a CO-Releasing Extracellular Scaffold
Inorg.Chem., 54, 2015
4UWV
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Lysozyme soaked with a ruthenium based CORM with a pyridine ligand (complex 8)
分子名称: CARBON MONOXIDE, CHLORIDE ION, LYSOZYME C, ...
著者Santos, M.F.A, Mukhopadhyay, A, Romao, M.J, Romao, C.C, Santos-Silva, T.
登録日2014-08-14
公開日2014-12-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献A Contribution to the Rational Design of Ru(Co)3Cl2L Complexes for in Vivo Delivery of Co.
Dalton Trans, 44, 2015
6EP8
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BU of 6ep8 by Molmil
InhA Y158F mutant in complex with NADH from Mycobacterium tuberculosis
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ...
著者Wagner, T, Voegeli, B, Rosenthal, R.G, Stoffel, G, Shima, S, Kiefer, P, Cortina, N, Erb, T.J.
登録日2017-10-11
公開日2018-09-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献InhA, the enoyl-thioester reductase fromMycobacterium tuberculosisforms a covalent adduct during catalysis.
J. Biol. Chem., 293, 2018

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