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5YWX
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BU of 5ywx by Molmil
Crystal structure of hematopoietic prostaglandin D synthase in complex with F092
分子名称: GLUTATHIONE, GLYCEROL, Hematopoietic prostaglandin D synthase, ...
著者Kamo, M, Furubayashi, N, Inaka, K, Aritake, K, Omura, A, Tanaka, A.
登録日2017-11-30
公開日2018-09-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Characterization of crystal water molecules in a high-affinity inhibitor and hematopoietic prostaglandin D synthase complex by interaction energy studies.
Bioorg. Med. Chem., 26, 2018
6KFA
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BU of 6kfa by Molmil
Hydroxynitrile lyase from the millipede, Chamberlinius hualienensis bound with acetate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Hydroxynitrile lyase
著者Motojima, F, Izumi, A, Asano, Y.
登録日2019-07-07
公開日2020-07-08
最終更新日2021-06-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献R-hydroxynitrile lyase from the cyanogenic millipede, Chamberlinius hualienensis-A new entry to the carrier protein family Lipocalines.
Febs J., 288, 2021
3LG2
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BU of 3lg2 by Molmil
A Ykr043C/ fructose-1,6-bisphosphate product complex following ligand soaking
分子名称: PHOSPHATE ION, Uncharacterized protein YKR043C
著者Singer, A, Xu, X, Cui, H, Dong, A, Edwards, A.M, Joachimiak, A, Yakunin, A.F, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2010-01-19
公開日2010-03-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and activity of the metal-independent fructose-1,6-bisphosphatase YK23 from Saccharomyces cerevisiae.
J.Biol.Chem., 285, 2010
7QL7
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BU of 7ql7 by Molmil
Crystal structure of YTHDF1 YTH domain in complex with the ebsulfur derivative compound 9
分子名称: 1,2-ETHANEDIOL, THIOCYANATE ION, YTH domain-containing family protein 1, ...
著者Dalle Vedove, A, Cazzanelli, G, Quattrone, A, Provenzani, A, Lolli, G.
登録日2021-12-19
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Small-Molecule Ebselen Binds to YTHDF Proteins Interfering with the Recognition of N 6 -Methyladenosine-Modified RNAs.
Acs Pharmacol Transl Sci, 5, 2022
6K7E
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BU of 6k7e by Molmil
Crystal structure of MBPapo-Tim21 fusion protein with a 17-residue helical linker
分子名称: Maltose/maltodextrin-binding periplasmic protein,Mitochondrial import inner membrane translocase subunit TIM21
著者Bala, S, Shimada, A, Kohda, D.
登録日2019-06-07
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.534 Å)
主引用文献Crystal contact-free conformation of an intrinsically flexible loop in protein crystal: Tim21 as the case study.
Biochim Biophys Acta Gen Subj, 1864, 2020
6KP1
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BU of 6kp1 by Molmil
Crystal structure of two domain M1 zinc metallopeptidase E323A mutant bound to L-methionine amino acid
分子名称: METHIONINE, SODIUM ION, ZINC ION, ...
著者Agrawal, R, Kumar, A, Kumar, A, Makde, R.D.
登録日2019-08-13
公開日2020-06-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Int.J.Biol.Macromol., 147, 2020
3CNU
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BU of 3cnu by Molmil
Crystal structure of the predicted coding region AF_1534 from Archaeoglobus fulgidus
分子名称: Predicted coding region AF_1534
著者Zhang, R, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2008-03-26
公開日2008-04-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of the predicted coding region AF_1534 from Archaeoglobus fulgidus.
To be Published
6YXB
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BU of 6yxb by Molmil
Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148K variant (space group P21)
分子名称: FLAVIN MONONUCLEOTIDE, Multi-sensor hybrid histidine kinase, SULFATE ION
著者Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I.
登録日2020-04-30
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins.
J.Biol.Chem., 296, 2021
6YX6
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BU of 6yx6 by Molmil
Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148K variant (no morpholine)
分子名称: FLAVIN MONONUCLEOTIDE, Multi-sensor hybrid histidine kinase, SULFATE ION
著者Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I.
登録日2020-04-30
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins.
J.Biol.Chem., 296, 2021
6YX4
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BU of 6yx4 by Molmil
Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148K variant with morpholine
分子名称: FLAVIN MONONUCLEOTIDE, GLYCEROL, Multi-sensor hybrid histidine kinase, ...
著者Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I.
登録日2020-04-30
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins.
J.Biol.Chem., 296, 2021
6I07
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BU of 6i07 by Molmil
Crystal structure of EpCAM in complex with scFv
分子名称: Epithelial cell adhesion molecule, GLYCEROL, Single chain Fv
著者Casaletto, J.B, Geddie, M.L, Abu-Yousif, A.O, Masson, K, Fulgham, A, Boudot, A, Maiwald, T, Kearns, J.D, Kohli, N, Su, S, Razlog, M, Raue, A, Kalra, A, Hakansson, M, Logan, D.T, Welin, M, Chattopadhyay, S, Harms, B.D, Nielsen, U.B, Schoeberl, B, Lugovskoy, A.A, MacBeath, G.
登録日2018-10-25
公開日2019-03-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献MM-131, a bispecific anti-Met/EpCAM mAb, inhibits HGF-dependent and HGF-independent Met signaling through concurrent binding to EpCAM.
Proc.Natl.Acad.Sci.USA, 116, 2019
5ZHP
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BU of 5zhp by Molmil
M3 muscarinic acetylcholine receptor in complex with a selective antagonist
分子名称: (1R,2R,4S,5S,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium, CITRIC ACID, HEXAETHYLENE GLYCOL, ...
著者Liu, H, Hofmann, J, Fish, I, Schaake, B, Eitel, K, Bartuschat, A, Kaindl, J, Rampp, H, Banerjee, A, Hubner, H, Clark, M.J, Vincent, S.G, Fisher, J, Heinrich, M, Hirata, K, Liu, X, Sunahara, R.K, Shoichet, B.K, Kobilka, B.K, Gmeiner, P.
登録日2018-03-13
公開日2018-11-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure-guided development of selective M3 muscarinic acetylcholine receptor antagonists
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3D5H
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BU of 3d5h by Molmil
Crystal structure of haementhin from Haemanthus multiflorus at 2.0A resolution: Formation of a novel loop on a TIM barrel fold and its functional significance
分子名称: ACETATE ION, Haementhin, PHOSPHATE ION
著者Kumar, S, Singh, N, Sinha, M, Singh, S.B, Bhushan, A, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P.
登録日2008-05-16
公開日2009-03-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of haementhin from Haemanthus multiflorus at 2.0A resolution: Formation of a novel loop on a TIM barrel fold and its functional significance
To be Published
6KP0
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BU of 6kp0 by Molmil
Crystal structure of two domain M1 zinc metallopeptidase E323A mutant bound to L-arginine
分子名称: ARGININE, SODIUM ION, ZINC ION, ...
著者Agrawal, R, Kumar, A, Kumar, A, Makde, R.D.
登録日2019-08-13
公開日2020-01-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Int.J.Biol.Macromol., 147, 2020
6KR6
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BU of 6kr6 by Molmil
Crystal structure of Drosophila Piwi
分子名称: MERCURY (II) ION, Protein piwi, ZINC ION, ...
著者Yamaguchi, S, Oe, A, Yamashita, K, Hirano, S, Mastumoto, N, Ishitani, R, Nishimasu, H, Nureki, O.
登録日2019-08-21
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of Drosophila Piwi.
Nat Commun, 11, 2020
6KSG
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BU of 6ksg by Molmil
Vibrio cholerae Methionine Aminopeptidase in holo form
分子名称: GLYCEROL, Methionine aminopeptidase, NICKEL (II) ION, ...
著者Pillalamarri, V, Addlagatta, A.
登録日2019-08-23
公開日2020-08-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Methionine aminopeptidases with short sequence inserts within the catalytic domain are differentially inhibited: Structural and biochemical studies of three proteins from Vibrio spp.
Eur.J.Med.Chem., 209, 2020
5ZKV
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BU of 5zkv by Molmil
Solution structure of molten globule state of L94G mutant of horse cytochrome-c
分子名称: Cytochrome c, HEME C
著者Naiyer, A, Islam, A, Hassan, M.I, Sundd, M, Ahmad, F.
登録日2018-03-26
公開日2019-05-22
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution structure of molten globule state of L94G mutant of horse cytochrome-c
To Be Published
6KOZ
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BU of 6koz by Molmil
Crystal structure of two domain M1 zinc metallopeptidase E323 mutant bound to L-Leucine amino acid
分子名称: LEUCINE, SODIUM ION, ZINC ION, ...
著者Agrawal, R, Kumar, A, Kumar, A, Makde, R.D.
登録日2019-08-13
公開日2020-01-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Int.J.Biol.Macromol., 147, 2020
5ZQK
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BU of 5zqk by Molmil
Dengue Virus Non Structural Protein 5
分子名称: 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ...
著者El Sahili, A, Soh, T.S, Schiltz, J, Gharbi-Ayachi, A, Goh, B.C, Seh, C.C, Dedon, P.C, Shi, P.Y, Lim, S.P, Lescar, J.
登録日2018-04-19
公開日2019-06-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献NS5 from Dengue Virus Serotype 2 Can Adopt a Conformation Analogous to That of Its Zika Virus and Japanese Encephalitis Virus Homologues.
J.Virol., 94, 2019
6KOY
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BU of 6koy by Molmil
Crystal structure of two domain M1 Zinc metallopeptidase E323A mutant bound to L-tryptophan amino acid
分子名称: TRYPTOPHAN, ZINC ION, Zinc metalloprotease
著者Agrawal, R, Kumar, A, Kumar, A, Makde, R.D.
登録日2019-08-13
公開日2020-01-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Int.J.Biol.Macromol., 147, 2020
5FV3
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BU of 5fv3 by Molmil
Crystal structure of human JARID1B construct c2 in complex with N- Oxalylglycine.
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Talon, R, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
登録日2016-02-02
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
6L4V
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BU of 6l4v by Molmil
Turning an asparaginyl endopeptidase into a peptide ligase
分子名称: 1,2-ETHANEDIOL, Asparaginyl endopeptidase, DI(HYDROXYETHYL)ETHER
著者El Sahili, A, Lescar, J.
登録日2019-10-21
公開日2020-10-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Turning an Asparaginyl Endopeptidase into a Peptide Ligase
Acs Catalysis, 10, 2020
3DCV
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BU of 3dcv by Molmil
Crystal structure of human Pim1 kinase complexed with 4-(4-hydroxy-3-methyl-phenyl)-6-phenylpyrimidin-2(1H)-one
分子名称: 4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one, Proto-oncogene serine/threonine-protein kinase Pim-1
著者Bellamacina, C.R, Shafer, C.M, Lindvall, M, Gesner, T.G, Yabannavar, A, Weiping, J, Song, L, Walter, A.
登録日2008-06-04
公開日2008-08-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献4-(1H-indazol-5-yl)-6-phenylpyrimidin-2(1H)-one analogs as potent CDC7 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3DA6
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BU of 3da6 by Molmil
Crystal Structure of human JNK3 complexed with N-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine
分子名称: Mitogen-activated protein kinase 10, N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine
著者Cee, V.J, Cheng, A.C, Romero, K, Bellon, S, Mohr, C, Whittington, D.A, Bready, J, Caenepeel, S, Coxon, A, Deak, H.L, Hodous, B.L, Kim, J.L, Lin, J, Nguyen, H, Olivieri, P.R, Patel, V.F, Wang, L, Hughes, P, Geuns-Meyer, S.
登録日2008-05-28
公開日2009-01-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase
Bioorg.Med.Chem.Lett., 19, 2009
6LC8
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BU of 6lc8 by Molmil
Crystal structure of AmpC Ent385 complex form with avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,4-DIETHYLENE DIOXIDE, Beta-lactamase, ...
著者Kawai, A, Doi, Y.
登録日2019-11-18
公開日2020-04-22
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Basis of Reduced Susceptibility to Ceftazidime-Avibactam and Cefiderocol inEnterobacter cloacaeDue to AmpC R2 Loop Deletion.
Antimicrob.Agents Chemother., 64, 2020

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