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4U08
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BU of 4u08 by Molmil
Structure of Leptospira interrogans LRR protein LIC11098
分子名称: CALCIUM ION, LIC11098, SULFATE ION, ...
著者Shepard, W, Saul, F.A, Haouz, A, Picardeau, M.
登録日2014-07-11
公開日2015-06-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural characterization of a novel subfamily of leucine-rich repeat proteins from the human pathogen Leptospira interrogans.
Acta Crystallogr.,Sect.D, 71, 2015
5IB7
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BU of 5ib7 by Molmil
Structure of T. thermophilus 70S ribosome complex with mRNA, tRNAfMet, near-cognate tRNALys with U-G mismatch in the A-site and antibiotic paromomycin
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Rozov, A, Demeshkina, N, Yusupov, M, Yusupova, G.
登録日2016-02-22
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献The ribosome prohibits the GU wobble geometry at the first position of the codon-anticodon helix.
Nucleic Acids Res., 44, 2016
3U1B
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BU of 3u1b by Molmil
Crystal structure of the S238R mutant of mycrocine immunity protein (MccF) with AMP
分子名称: ADENOSINE MONOPHOSPHATE, Microcin immunity protein MccF
著者Nocek, B, Gu, M, Zhou, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-09-29
公開日2011-11-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.604 Å)
主引用文献Structural and Functional Characterization of Microcin C Resistance Peptidase MccF from Bacillus anthracis.
J.Mol.Biol., 420, 2012
4TVT
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BU of 4tvt by Molmil
New ligand for thaumatin discovered using acoustic high throughput screening
分子名称: ASCORBIC ACID, L(+)-TARTARIC ACID, SODIUM ION, ...
著者Teplitsky, E, Joshi, K, Ericson, D.L, Scalia, A, Mullen, J.D, Sweet, R.M, Soares, A.S.
登録日2014-06-28
公開日2014-07-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献High throughput screening using acoustic droplet ejection to combine protein crystals and chemical libraries on crystallization plates at high density.
J.Struct.Biol., 191, 2015
5IOV
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BU of 5iov by Molmil
Cryo-EM structure of GluN1/GluN2B NMDA receptor in the glutamate/glycine/Ro25-6981-bound conformation
分子名称: 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol, GLUTAMIC ACID, GLYCINE, ...
著者Zhu, S, Stein, A.R, Yoshioka, C, Lee, C.H, Goehring, A, Mchaourab, S.H, Gouaux, E.
登録日2016-03-09
公開日2016-04-20
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (7.5 Å)
主引用文献Mechanism of NMDA Receptor Inhibition and Activation.
Cell, 165, 2016
3HNA
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BU of 3hna by Molmil
Crystal structure of catalytic domain of human euchromatic histone methyltransferase 1 in complex with SAH and mono-Methylated H3K9 Peptide
分子名称: Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, Mono-Methylated H3K9 Peptide, ...
著者Min, J, Wu, H, Loppnau, P, Wleigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2009-05-30
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural biology of human H3K9 methyltransferases
Plos One, 5, 2010
5IPV
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BU of 5ipv by Molmil
Cryo-EM structure of GluN1/GluN2B NMDA receptor in the DCKA/D-APV-bound conformation, state 1
分子名称: Ionotropic glutamate receptor subunit NR2B, N-methyl-D-aspartate receptor subunit NR1-8a
著者Zhu, S, Stein, A.R, Yoshioka, C, Lee, C.H, Goehring, A, McHaourab, S.H, Gouaux, E.
登録日2016-03-10
公開日2016-04-20
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (9.25 Å)
主引用文献Mechanism of NMDA Receptor Inhibition and Activation.
Cell, 165, 2016
5IQO
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BU of 5iqo by Molmil
Crystal structure of the E. coli type 1 pilus subunit FimG (engineered variant with substitutions Q134E and S138E; N-terminal FimG residues 1-12 truncated) in complex with the donor strand peptide DsF_T4R-T6R-D13N
分子名称: 1,2-ETHANEDIOL, COBALT (II) ION, PENTAETHYLENE GLYCOL, ...
著者Giese, C, Eras, J, Kern, A, Capitani, G, Glockshuber, R.
登録日2016-03-11
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.302 Å)
主引用文献Accelerating the Association of the Most Stable Protein-Ligand Complex by More than Two Orders of Magnitude.
Angew.Chem.Int.Ed.Engl., 55, 2016
5I0L
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BU of 5i0l by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated arylsulfonamide carboxylate water-soluble inhibitor (DC27).
分子名称: (2R)-2-[{(E)-2-[({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A.
登録日2016-02-04
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
4U09
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BU of 4u09 by Molmil
Structure of Leptospira interrogans LRR protein LIC12759
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Shepard, W, Saul, F.A, Haouz, A, Picardeau, M.
登録日2014-07-11
公開日2015-06-03
最終更新日2015-06-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural characterization of a novel subfamily of leucine-rich repeat proteins from the human pathogen Leptospira interrogans.
Acta Crystallogr.,Sect.D, 71, 2015
8CRU
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BU of 8cru by Molmil
PETase Ancestral Sequence Reconstruction 008
分子名称: CITRIC ACID, Poly(ethylene terephthalate) hydrolase
著者Joho, Y, Royan, S, Caputo, A.T, Ardevol Grau, A, Jackson, C.
登録日2022-05-11
公開日2022-09-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Ancestral Sequence Reconstruction Identifies Structural Changes Underlying the Evolution of Ideonella sakaiensis PETase and Variants with Improved Stability and Activity.
Biochemistry, 62, 2023
4U28
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BU of 4u28 by Molmil
Crystal structure of apo Phosphoribosyl isomerase A from Streptomyces sviceus ATCC 29083
分子名称: PHOSPHATE ION, Phosphoribosyl isomerase A
著者Chang, C, Verduzco-Castro, E.A, Endres, M, Barona-Gomez, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2014-07-16
公開日2014-07-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Co-occurrence of analogous enzymes determines evolution of a novel ( beta alpha )8-isomerase sub-family after non-conserved mutations in flexible loop.
Biochem. J., 473, 2016
4BAF
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BU of 4baf by Molmil
Hen egg-white lysozyme structure in complex with the europium tris- hydroxyethyltriazoledipicolinate complex at 1.51 A resolution.
分子名称: 4-(4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid, ACETATE ION, CHLORIDE ION, ...
著者Talon, R, Kahn, R, Gautier, A, Nauton, L, Girard, E.
登録日2012-09-14
公開日2012-11-14
最終更新日2019-03-06
実験手法X-RAY DIFFRACTION (1.507 Å)
主引用文献Clicked Europium Dipicolinate Complexes for Protein X-Ray Structure Determination.
Chem.Commun.(Camb.), 48, 2012
4CSS
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BU of 4css by Molmil
Crystal structure of FimH in complex with a sulfonamide biphenyl alpha D-mannoside
分子名称: 4'-(alpha-D-Mannopyranosyloxy)-biphenyl-4-methyl sulfonamide, GLYCEROL, PROTEIN FIMH
著者Kleeb, S, Pang, L, Mayer, K, Sigl, A, Eris, D, Preston, R.C, Zihlmann, P, Abgottspon, D, Hutter, A, Scharenberg, M, Jian, X, Navarra, G, Rabbani, S, Smiesko, M, Luedin, N, Jakob, R.P, Schwardt, O, Maier, T, Sharpe, T, Ernst, B.
登録日2014-03-10
公開日2015-02-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.069 Å)
主引用文献Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile.
J.Med.Chem., 58, 2015
5JT5
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BU of 5jt5 by Molmil
tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 2-((2-morpholinoethyl)amino)-1H-benzo[d]imidazole-5-carboxamide
分子名称: 1,2-ETHANEDIOL, 2-{[2-(morpholin-4-yl)ethyl]amino}-1H-benzimidazole-6-carboxamide, CHLORIDE ION, ...
著者Ehrmann, F.R, Heine, A, Klebe, G.
登録日2016-05-09
公開日2017-05-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Benzimidazole-based Inhibitors as a Novel Scaffold to Inhibit Z.mobilis TGT and Study Protein Flexibility and the Contributions of Active Site Residues to Binding Affinity of lin-Benzopurines.
To be Published
5K03
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BU of 5k03 by Molmil
Crystal Structure of COMT in complex with 2,6-dimethyl-3-(1H-pyrazol-3-yl)imidazo[1,2-a]pyridine
分子名称: 2,6-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine, Catechol O-methyltransferase, POTASSIUM ION
著者Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G.
登録日2016-05-17
公開日2016-09-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
5K0D
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BU of 5k0d by Molmil
Crystal structure of laccase from Thermus thermophilus HB27 (Cu(II)-cyclophanes, 3 min)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Laccase
著者Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Stojanoff, V, Rudino-Pinera, E.
登録日2016-05-17
公開日2017-05-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.824 Å)
主引用文献Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase
To be Published
5K0N
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BU of 5k0n by Molmil
Crystal Structure of COMT in complex with 4-[5-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-3-yl]-1,3-dimethylpyrazole
分子名称: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-[1-(4-methoxyphenyl)cyclopropyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole, ...
著者Ehler, A, Rodriguez-Sarmiento, R.M.
登録日2016-05-17
公開日2016-09-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
4RXM
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BU of 4rxm by Molmil
Crystal structure of periplasmic ABC transporter solute binding protein A7JW62 from Mannheimia haemolytica PHL213, Target EFI-511105, in complex with Myo-inositol
分子名称: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, ASPARTIC ACID, CHLORIDE ION, ...
著者Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-12-11
公開日2014-12-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of solute binding sugar transporter A7JW62 from Mannheimia haemolytica, Target EFI-511105.
To be Published
4RJZ
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BU of 4rjz by Molmil
Crystal structure of ATU4361 sugar transporter from Agrobacterium fabrum C58, target EFI-510558, an open conformation
分子名称: ABC transporter, substrate binding protein (Sugar), CHLORIDE ION, ...
著者Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-10-11
公開日2014-11-05
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Crystal Structure of Maltoside Transporter ATU4361 from Agrobacterium Fabrum, Target EFI-510558
To be Published
4BAP
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BU of 4bap by Molmil
Hen egg-white lysozyme structure in complex with the europium tris- hydroxyethylcholinetriazoledipicolinate complex at 1.21 A resolution.
分子名称: ACETATE ION, CHLORIDE ION, EUROPIUM (III) ION, ...
著者Talon, R, Kahn, R, Gautier, A, Nauton, L, Girard, E.
登録日2012-09-14
公開日2012-11-14
最終更新日2019-03-06
実験手法X-RAY DIFFRACTION (1.207 Å)
主引用文献Clicked Europium Dipicolinate Complexes for Protein X-Ray Structure Determination.
Chem.Commun.(Camb.), 48, 2012
8PPL
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BU of 8ppl by Molmil
MERS-CoV Nsp1 bound to the human 43S pre-initiation complex
分子名称: 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
著者Schubert, K, Karousis, E.D, Ban, I, Lapointe, C.P, Leibundgut, M, Baeumlin, E, Kummerant, E, Scaiola, A, Schoenhut, T, Ziegelmueller, J, Puglisi, J.D, Muehlemann, O, Ban, N.
登録日2023-07-07
公開日2023-10-18
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.65 Å)
主引用文献Universal features of Nsp1-mediated translational shutdown by coronaviruses.
Mol.Cell, 83, 2023
5JSF
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BU of 5jsf by Molmil
Crystal structure of 17beta-hydroxysteroid dehydrogenase 14 S205 variant in complex with NAD.
分子名称: 17-beta-hydroxysteroid dehydrogenase 14, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Bertoletti, N, Marchais-Oberwinkler, S, Heine, A, Klebe, G.
登録日2016-05-08
公開日2016-07-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.842 Å)
主引用文献New Insights into Human 17 beta-Hydroxysteroid Dehydrogenase Type 14: First Crystal Structures in Complex with a Steroidal Ligand and with a Potent Nonsteroidal Inhibitor.
J.Med.Chem., 59, 2016
5K0J
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BU of 5k0j by Molmil
Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-{3-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, ...
著者Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G.
登録日2016-05-17
公開日2016-09-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
4S17
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BU of 4s17 by Molmil
The crystal structure of glutamine synthetase from Bifidobacterium adolescentis ATCC 15703
分子名称: ACETATE ION, Glutamine synthetase, MAGNESIUM ION
著者Cuff, M, Tan, K, Mack, J, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2015-01-08
公開日2015-01-28
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The crystal structure of glutamine synthetase from Bifidobacterium adolescentis ATCC 15703
To be Published

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