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7YXJ
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Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and 2,4-PDCA
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GH14974p, ...
著者Chowdhury, R, Schofield, C.J.
登録日2022-02-16
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans.
Sci Rep, 12, 2022
7YXG
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BU of 7yxg by Molmil
Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and 2OG
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, GH14974p, ...
著者Chowdhury, R, Schofield, C.J.
登録日2022-02-16
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.641 Å)
主引用文献Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans.
Sci Rep, 12, 2022
7YXK
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Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and N-oxalyl-D-alanine (NODA)
分子名称: (2~{R})-2-(carboxycarbonylamino)propanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Chowdhury, R, Schofield, C.J.
登録日2022-02-16
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans.
Sci Rep, 12, 2022
7ZEJ
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Crystal structure of the human MGC45594 gene product in complex with celecoxib.
分子名称: 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin reductase 3
著者Shafqat, N, Yue, W.W, Koekemoer, L, Niesen, F, Ugochukwu, E, Vollmar, M, Weigelt, J, Krojer, T, Pike, A, Chaikaud, A, Von Delft, F, Arrowsmith, C, Bountra, C, Edwards, A, Opperman, U, Structural Genomics Consortium (SGC)
登録日2022-03-31
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Human prostaglandin/alkenal reductases: substrate specificities, inhibitor profiles, structural insights and subcellular localization suggest protective roles in inflammatory and oxidative stress conditions.
To Be Published
7Z60
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BU of 7z60 by Molmil
Human transthyretin (TTR) complexed with Quercetin 3-O-beta-D-galactoside
分子名称: 1,2-ETHANEDIOL, 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one, IMIDAZOLE, ...
著者Ciccone, L, Braca, A, Orlandini, E, Nencetti, S.
登録日2022-03-10
公開日2022-05-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Antioxidant Quercetin 3-O-Glycosylated Plant Flavonols Contribute to Transthyretin Stabilization
Crystals, 12, 2022
7YZ9
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BU of 7yz9 by Molmil
Structure of catalytic domain of Rv1625c bound to nanobody NB4
分子名称: 3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-5'-TRIPHOSPHATE, Adenylate cyclase, GLYCEROL, ...
著者Khanppnavar, B, Mehta, V.J, Iype, T, Korkhov, V.M.
登録日2022-02-19
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure of Mycobacterium tuberculosis Cya, an evolutionary ancestor of the mammalian membrane adenylyl cyclases.
Elife, 11, 2022
4ID1
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HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor
分子名称: (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, Gag-Pol polyprotein, SULFATE ION
著者Feng, L, Kvaratskhelia, M.
登録日2012-12-11
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Allosteric integrase inhibitor potency is determined through the inhibition of HIV-1 particle maturation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4IH6
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BU of 4ih6 by Molmil
Hepatitis C Virus polymerase NS5B (BK) with fragment-based compounds
分子名称: (5S)-3-(4-tert-butylbenzyl)-5-(propan-2-yl)imidazolidine-2,4-dione, RNA-directed RNA polymerase
著者Harris, S.F, Wong, A.
登録日2012-12-18
公開日2013-07-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献De novo fragment design: a medicinal chemistry approach to fragment-based lead generation.
J.Med.Chem., 56, 2013
4IH7
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Hepatitis C Virus polymerase NS5B (BK) with fragment-based compounds
分子名称: 3-(3-tert-butylphenyl)pyridin-2(1H)-one, RNA-directed RNA polymerase, ZINC ION
著者Harris, S.F, Wong, A.
登録日2012-12-18
公開日2013-07-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献De novo fragment design: a medicinal chemistry approach to fragment-based lead generation.
J.Med.Chem., 56, 2013
4IHL
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BU of 4ihl by Molmil
Human 14-3-3 isoform zeta in complex with a diphoyphorylated C-RAF peptide and Cotylenin A
分子名称: (1R,3aS,4R,5R,6R,9aR,10E)-6-({(1S,2R,4S,5R,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,1 1-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-de cahydrodicyclopenta[a,d][8]annulene-1,5-diol, 14-3-3 protein zeta/delta, POTASSIUM ION, ...
著者Molzan, M, Ottmann, C.
登録日2012-12-19
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Stabilization of Physical RAF/14-3-3 Interaction by Cotylenin A as Treatment Strategy for RAS Mutant Cancers.
Acs Chem.Biol., 8, 2013
4IF8
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BU of 4if8 by Molmil
Structure Of Vaspin
分子名称: SULFATE ION, Serpin A12
著者Kuettner, E.B, Strater, N, Heiker, J.T, Kloting, N, Kovacs, P, Schultz, S, Kern, M, Stumvoll, M, Bluher, M, Beck-Sickinger, A.G.
登録日2012-12-14
公開日2013-02-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Vaspin inhibits kallikrein 7 by serpin mechanism
Cell.Mol.Life Sci., 70, 2013
4IQS
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BU of 4iqs by Molmil
RNA 8mer duplex modified with 4-Se-Uridine
分子名称: RNA (5'-R(*GP*UP*GP*(S5)P*AP*CP*AP*C)-3')
著者Sheng, J, Gan, J, Soares, A, Huang, Z.
登録日2013-01-13
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural insights of non-canonical U*U pair and Hoogsteen interaction probed with Se atom.
Nucleic Acids Res., 41, 2013
4IQ4
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BU of 4iq4 by Molmil
Structure of a 16 nm protein cage designed by fusing symmetric oligomeric domains, triple mutant, P21212 form
分子名称: Non-haem bromoperoxidase BPO-A2, Matrix protein 1
著者Lai, Y.-T, Sawaya, M.R, Yeates, T.O.
登録日2013-01-10
公開日2013-07-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.495 Å)
主引用文献Structure and flexibility of nanoscale protein cages designed by symmetric self-assembly.
J.Am.Chem.Soc., 135, 2013
4IRA
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BU of 4ira by Molmil
CobR in complex with FAD
分子名称: 4-hydroxyphenylacetate 3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
著者Lawrence, A.D, Scott, A.F, Warren, M.J, Pickersgill, R.W.
登録日2013-01-14
公開日2014-01-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Biophysical characterisation and structure-function analysis of Brucella melitensis CobR: Protein-flavin interactions determine function and stability
To be Published
4IZQ
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BU of 4izq by Molmil
GGGCATGCCC in the A-DNA Form
分子名称: DNA (5'-D(*GP*GP*GP*CP*AP*TP*GP*CP*CP*C)-3')
著者Hall, J.P, Ruiz-Morte, S, Murray, C.A, Cardin, C.J.
登録日2013-01-30
公開日2014-02-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献GGGCATGCCC in the A-DNA Form
To be Published
4ISR
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BU of 4isr by Molmil
Binding domain of Botulinum neurotoxin DC in complex with rat synaptotagmin II
分子名称: Neurotoxin, SULFATE ION, Synaptotagmin-2
著者Berntsson, R.P.-A, Peng, L, Svensson, L.M, Dong, M, Stenmark, P.
登録日2013-01-17
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal Structures of Botulinum Neurotoxin DC in Complex with Its Protein Receptors Synaptotagmin I and II.
Structure, 21, 2013
4ITV
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BU of 4itv by Molmil
Structure of a 16 nm protein cage designed by fusing symmetric oligomeric domains, triple mutant, P212121 form
分子名称: Non-haem bromoperoxidase BPO-A2, Matrix protein 1
著者Lai, Y.-T, Sawaya, M.R, Yeates, T.O.
登録日2013-01-18
公開日2013-07-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.598 Å)
主引用文献Structure and flexibility of nanoscale protein cages designed by symmetric self-assembly.
J.Am.Chem.Soc., 135, 2013
4ISC
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BU of 4isc by Molmil
Crystal structure of a putative Methyltransferase from Pseudomonas syringae
分子名称: BETA-MERCAPTOETHANOL, Methyltransferase
著者Filippova, E.V, Wawrzak, Z, Minasov, G, Shuvalova, L, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2013-01-16
公開日2013-02-20
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Crystal structure of a putative Methyltransferase from Pseudomonas syringae
To be Published
4J3H
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BU of 4j3h by Molmil
Ring cycle for dilating and constricting the nuclear pore: structure of a Nup54 homo-tetramer.
分子名称: CALCIUM ION, Nuclear pore complex protein Nup54
著者Solmaz, S.R, Blobel, G, Melcak, I.
登録日2013-02-05
公開日2013-04-10
最終更新日2013-04-17
実験手法X-RAY DIFFRACTION (1.5002 Å)
主引用文献Ring cycle for dilating and constricting the nuclear pore.
Proc.Natl.Acad.Sci.USA, 110, 2013
4ISQ
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BU of 4isq by Molmil
Binding domain of Botulinum neurotoxin DC in complex with human synaptotagmin I
分子名称: GLYCEROL, Neurotoxin, SULFATE ION, ...
著者Berntsson, R.P.-A, Peng, L, Svensson, L.M, Dong, M, Stenmark, P.
登録日2013-01-17
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal Structures of Botulinum Neurotoxin DC in Complex with Its Protein Receptors Synaptotagmin I and II.
Structure, 21, 2013
4IV8
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BU of 4iv8 by Molmil
Crystal structure of N-methyl transferase from Plasmodium knowlesi complexed with S-adenosyl methionine
分子名称: BETA-MERCAPTOETHANOL, Phosphoethanolamine N-methyltransferase,putative, S-ADENOSYLMETHIONINE
著者Lukk, T, Nair, S.K.
登録日2013-01-22
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Phosphoethanolamine N-methyl transferase is a Malarial drug target.
To be Published
4IVJ
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BU of 4ivj by Molmil
Structure of a 16 nm protein cage designed by fusing symmetric oligomeric domains, triple mutant, I222 form
分子名称: Non-haem bromoperoxidase BPO-A2, Matrix protein 1
著者Lai, Y.-T, Sawaya, M.R, Yeates, T.O.
登録日2013-01-23
公開日2013-07-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (7.351 Å)
主引用文献Structure and flexibility of nanoscale protein cages designed by symmetric self-assembly.
J.Am.Chem.Soc., 135, 2013
4J0S
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BU of 4j0s by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand
分子名称: 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(S)-hydroxy(phenyl)methyl]phenol, Bromodomain-containing protein 4
著者Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Hewings, D.S, von Delft, F, Conway, S.J, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-01-31
公開日2013-02-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands.
J.Med.Chem., 56, 2013
4IYP
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BU of 4iyp by Molmil
structure of the nPP2Ac-alpha4 complex
分子名称: Immunoglobulin-binding protein 1, Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform
著者Jiang, L, Stanevich, V, Satyshur, K.A, Xing, Y.
登録日2013-01-29
公開日2013-04-17
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.797 Å)
主引用文献Structural basis of protein phosphatase 2A stable latency.
Nat Commun, 4, 2013
4IZH
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Crystal Structure of the Alpha1 dimer of Thermus thermophilus Transhydrogenase in P6
分子名称: GLYCEROL, NAD/NADP transhydrogenase alpha subunit 1
著者Stout, C.D, Yamaguchi, M, Leung, J.
登録日2013-01-29
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure analysis of Thermus thermophilus transhydrogenase soluble domains
To be Published

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件を2024-08-28に公開中

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