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6NTZ
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BU of 6ntz by Molmil
Crystal structure of E. coli PBP5-meropenem
分子名称: (2S,3R,4S)-4-{[(3S,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, D-alanyl-D-alanine carboxypeptidase
著者Caveney, N.A, Strynadka, N.C.J, Caballero, G, Worrall, L.J.
登録日2019-01-30
公開日2019-03-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insight into YcbB-mediated beta-lactam resistance in Escherichia coli.
Nat Commun, 10, 2019
5CCO
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BU of 5cco by Molmil
Staphylococcus bacteriophage 80alpha dUTPase with dUMP.
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DUTPase, MAGNESIUM ION
著者Maiques, E, Quiles-Puchalt, N, Donderis, J, Ciges, J.R, Alite, C, Bowring, J, Penades, J.R, Marina, A.
登録日2015-07-02
公開日2016-05-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Another look at the mechanism involving trimeric dUTPases in Staphylococcus aureus pathogenicity island induction involves novel players in the party.
Nucleic Acids Res., 44, 2016
2V5N
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BU of 2v5n by Molmil
STRUCTURE OF HUMAN IGF2R DOMAINS 11-12
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CATION-INDEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR
著者Brown, J, Delaine, C, Zaccheo, O.J, Siebold, C, Gilbert, R.J, van Boxel, G, Denley, A, Wallace, J.C, Hassan, A.B, Forbes, B.E, Jones, E.Y.
登録日2007-07-06
公開日2007-12-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure and Functional Analysis of the Igf-II/Igf2R Interaction
Embo J., 27, 2008
1KIL
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BU of 1kil by Molmil
Three-dimensional structure of the complexin/SNARE complex
分子名称: Complexin I SNARE-complex binding region, MAGNESIUM ION, SNAP-25 C-terminal SNARE motif, ...
著者Chen, X, Tomchick, D, Kovrigin, E, Arac, D, Machius, M, Sudhof, T.C, Rizo, J.
登録日2001-12-03
公開日2002-03-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Three-dimensional structure of the complexin/SNARE complex.
Neuron, 33, 2002
6GBI
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BU of 6gbi by Molmil
Wnt signalling
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ly6/PLAUR domain-containing protein 6, ...
著者Zhao, Y, Jones, E.Y.
登録日2018-04-14
公開日2018-08-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structure of the Wnt signaling enhancer LYPD6 and its interactions with the Wnt coreceptor LRP6.
FEBS Lett., 592, 2018
2P5W
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BU of 2p5w by Molmil
Crystal structures of high affinity human T-cell receptors bound to pMHC reveal native diagonal binding geometry
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, CALCIUM ION, ...
著者Sami, M, Rizkallah, P.J, Dunn, S, Li, Y, Moysey, R, Vuidepot, A, Baston, E, Todorov, P, Molloy, P, Gao, F, Boulter, J.M, Jakobsen, B.K.
登録日2007-03-16
公開日2007-09-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of high affinity human T-cell receptors bound to peptide major histocompatibility complex reveal native diagonal binding geometry
Protein Eng.Des.Sel., 20, 2007
2V9U
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BU of 2v9u by Molmil
Rim domain of main porin from Mycobacteria smegmatis
分子名称: MSPA
著者Grueninger, D, Ziegler, M.O.P, Koetter, J.W.A, Treiber, N, Schulze, M.-S, Schulz, G.E.
登録日2007-08-27
公開日2008-01-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Designed Protein-Protein Association.
Science, 319, 2008
6G4N
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BU of 6g4n by Molmil
Torpedo californica acetylcholinesterase bound to uncharged hybrid reactivator 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol, Acetylcholinesterase, ...
著者Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F.
登録日2018-03-28
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61, 2018
2P7K
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BU of 2p7k by Molmil
Crystal structure of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes (hexagonal form)
分子名称: CITRIC ACID, Glyoxalase family protein
著者Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N.
登録日2007-03-20
公開日2007-07-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure and Mechanism of the Genomically Encoded Fosfomycin Resistance Protein, FosX, from Listeria monocytogenes.
Biochemistry, 46, 2007
6G5F
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BU of 6g5f by Molmil
Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 1
分子名称: Botulinum neurotoxin type B, GLYCEROL, MALONATE ION, ...
著者Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P.
登録日2018-03-29
公開日2019-01-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
6GCX
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BU of 6gcx by Molmil
Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor
分子名称: 2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide, Focal adhesion kinase 1, SULFATE ION
著者Yen-Pon, E, Li, B, Acebron-Garcia de Eulate, M, Tomkiewicz-Raulet, C, Dawson, J, Lietha, D, Frame, M.C, Coumoul, X, Garbay, C, Etheve-Quelquejeu, M, Chen, H.
登録日2018-04-19
公開日2019-05-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.553 Å)
主引用文献Structure-Based Design, Synthesis, and Characterization of the First Irreversible Inhibitor of Focal Adhesion Kinase.
Acs Chem.Biol., 13, 2018
3MYM
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BU of 3mym by Molmil
Mutation of Methionine-86 in Dehaloperoxidase-hemoglobin: Effects of the Asp-His-Fe Triad in a 3/3 Globin
分子名称: CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
著者de Serrano, V.S, D'Antonio, E.L, Franzen, S, Bowden, E.F.
登録日2010-05-10
公開日2011-04-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Functional consequences of the creation of an Asp-His-Fe triad in a 3/3 globin.
Biochemistry, 50, 2011
2P8B
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BU of 2p8b by Molmil
Crystal structure of N-succinyl Arg/Lys racemase from Bacillus cereus ATCC 14579 complexed with N-succinyl Lys.
分子名称: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family protein, N-SUCCINYL LYSINE
著者Fedorov, A.A, Song, L, Fedorov, E.V, Gerlt, J.A, Almo, S.C.
登録日2007-03-22
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Prediction and assignment of function for a divergent N-succinyl amino acid racemase.
Nat.Chem.Biol., 3, 2007
1FMF
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BU of 1fmf by Molmil
REFINED SOLUTION STRUCTURE OF THE (13C,15N-LABELED) B12-BINDING SUBUNIT OF GLUTAMATE MUTASE FROM CLOSTRIDIUM TETANOMORPHUM
分子名称: METHYLASPARTATE MUTASE S CHAIN
著者Hoffmann, B, Konrat, R, Tollinger, M, Huhta, M, Marsh, E.N.G, Kraeutler, B.
登録日2000-08-17
公開日2002-02-15
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A protein pre-organized to trap the nucleotide moiety of coenzyme B(12): refined solution structure of the B(12)-binding subunit of glutamate mutase from Clostridium tetanomorphum.
Chembiochem, 2, 2001
3HXV
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BU of 3hxv by Molmil
Crystal Structure of catalytic fragment of E. coli AlaRS in complex with GlySA
分子名称: 2-HYDROXYETHYL DISULFIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-(glycylsulfamoyl)adenosine, ...
著者Guo, M, Yang, X.-L, Schimmel, P.
登録日2009-06-22
公開日2009-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma.
Nature, 462, 2009
5QFN
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BU of 5qfn by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000324a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2019-02-06
実験手法X-RAY DIFFRACTION (1.675 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
6FSP
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BU of 6fsp by Molmil
Crystal structure of APRT from Thermus thermophilus
分子名称: PRPP-binding protein, adenine/guanine phosphoribosyltransferase
著者Timofeev, V.I, Sinitsyna, E.V, Kostromina, M.A, Muravieva, T.I, Makarov, D.A, Mikheeva, O.O, Kuranova, I.P, Esipov, R.S.
登録日2018-02-20
公開日2019-03-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of APRT from Thermus thermophilus
To Be Published
1FQ1
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BU of 1fq1 by Molmil
CRYSTAL STRUCTURE OF KINASE ASSOCIATED PHOSPHATASE (KAP) IN COMPLEX WITH PHOSPHO-CDK2
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CELL DIVISION PROTEIN KINASE 2, CYCLIN-DEPENDENT KINASE INHIBITOR 3, ...
著者Song, H, Hanlon, N, Brown, N.R, Noble, M.E.M, Johnson, L.N, Barford, D.
登録日2000-09-01
公開日2001-05-09
最終更新日2018-03-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Phosphoprotein-protein interactions revealed by the crystal structure of kinase-associated phosphatase in complex with phosphoCDK2.
Mol.Cell, 7, 2001
3HXY
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BU of 3hxy by Molmil
Crystal Structure of catalytic fragment of E. coli AlaRS in complex with AMPPCP, Ala-AMP and PCP
分子名称: 2-HYDROXYETHYL DISULFIDE, 5'-O-[(R)-{[(2S)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine, Alanyl-tRNA synthetase, ...
著者Guo, M, Yang, X.-L, Schimmel, P.
登録日2009-06-22
公開日2009-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma.
Nature, 462, 2009
2VLW
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BU of 2vlw by Molmil
Crystal structure of the muscarinic toxin MT7 diiodoTYR51 derivative.
分子名称: ACETATE ION, MUSCARINIC M1-TOXIN1, SULFATE ION
著者Menez, R, Granata, V, Mourier, G, Fruchart-Gaillard, C, Menez, A, Servant, D, Stura, E.A.
登録日2008-01-17
公開日2008-10-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Different Interactions between Mt7 Toxin and the Human Muscarinic M1 Receptor in its Free and N-Methylscopolamine-Occupied States.
Mol.Pharmacol., 74, 2008
3HNL
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BU of 3hnl by Molmil
Crystal structure of the Cu-induced dimer of the engineered cyt cb562 variant RIDC-1
分子名称: CHLORIDE ION, COPPER (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Salgado, E.N, Lewis, R.A, Brodin, J, Tezcan, F.A.
登録日2009-05-31
公開日2010-02-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Metal templated design of protein interfaces.
Proc.Natl.Acad.Sci.USA, 107, 2010
1KO9
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BU of 1ko9 by Molmil
Native Structure of the Human 8-oxoguanine DNA Glycosylase hOGG1
分子名称: 8-oxoguanine DNA glycosylase, SULFATE ION
著者Bjoras, M, Seeberg, E, Luna, L, Pearl, L.H, Barrett, T.E.
登録日2001-12-20
公開日2002-01-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Reciprocal "flipping" underlies substrate recognition and catalytic activation by the human 8-oxo-guanine DNA glycosylase.
J.Mol.Biol., 317, 2002
7PAE
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BU of 7pae by Molmil
The crystal structure of Deltarasin in complex with PDE6D
分子名称: ACETIC ACID, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, deltarasin
著者Beaumont, E, Williams, D.
登録日2021-07-29
公開日2022-06-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects.
Blood Cancer J, 12, 2022
2H6D
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BU of 2h6d by Molmil
Protein Kinase Domain of the Human 5'-AMP-activated protein kinase catalytic subunit alpha-2 (AMPK alpha-2 chain)
分子名称: 5'-AMP-activated protein kinase catalytic subunit alpha-2
著者Littler, D.R, Walker, J.R, Wybenga-Groot, L, Newman, E.M, Butler-Cole, C, Mackenzie, F, Finerty, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2006-05-31
公開日2006-06-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A conserved mechanism of autoinhibition for the AMPK kinase domain: ATP-binding site and catalytic loop refolding as a means of regulation.
Acta Crystallogr.,Sect.F, 66, 2010
2OVY
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BU of 2ovy by Molmil
Crystal structure of the catalytic domain of rat phosphodiesterase 10A
分子名称: 6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE, MAGNESIUM ION, Phosphodiesterase-10A, ...
著者Pandit, J, Marr, E.S.
登録日2007-02-15
公開日2007-03-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of a series of 6,7-dimethoxy-4-pyrrolidylquinazoline PDE10A inhibitors
J.Med.Chem., 50, 2007

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