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PDB: 42880 件

5UE4
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proMMP-9desFnII complexed to JNJ0966 INHIBITOR
分子名称: CALCIUM ION, Matrix metalloproteinase-9, SULFATE ION, ...
著者Alexander, R.S, Spurlino, J, Milligan, C.
登録日2016-12-29
公開日2017-09-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of a highly selective chemical inhibitor of matrix metalloproteinase-9 (MMP-9) that allosterically inhibits zymogen activation.
J. Biol. Chem., 292, 2017
2PWP
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BU of 2pwp by Molmil
Crystal structure of spermidine synthase from Plasmodium falciparum in complex with spermidine
分子名称: GLYCEROL, SPERMIDINE, SULFATE ION, ...
著者Qiu, W, Dong, A, Ren, H, Wu, H, Zhao, Y, Schapira, M, Wasney, G, Vedadi, M, Lew, J, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Plotnikov, A.N, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC)
登録日2007-05-11
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of spermidine synthase from Plasmodium falciparum in complex with spermidine.
To be Published
8BOF
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BU of 8bof by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 12
分子名称: 4-methyl-~{N}-(3-methylphenyl)-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide, Ephrin type-A receptor 2
著者Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H.
登録日2022-11-15
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
4IVF
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BU of 4ivf by Molmil
Crystal structure of glutathione transferase homolog from Lodderomyces elongisporus, target EFI-501753, with two GSH per subunit
分子名称: CITRIC ACID, GLUTATHIONE, Putative uncharacterized protein
著者Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-01-22
公開日2013-02-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of glutathione transferase homolog from Lodderomyces elongisporus, target EFI-501753, with two GSH per subunit
To be Published
6O67
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BU of 6o67 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Mitoglitazone
分子名称: Mitoglitazone, Peroxisome proliferator-activated receptor gamma, nonanoic acid
著者Shang, J, Kojetin, D.J.
登録日2019-03-05
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Quantitative structural assessment of graded receptor agonism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6O68
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BU of 6o68 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Ciglitazone
分子名称: Ciglitazone, Peroxisome proliferator-activated receptor gamma
著者Shang, J, Kojetin, D.J.
登録日2019-03-05
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Quantitative structural assessment of graded receptor agonism.
Proc.Natl.Acad.Sci.USA, 116, 2019
8BDG
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BU of 8bdg by Molmil
Tubulin-taxane-2b complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F.
登録日2022-10-19
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural insight into the stabilization of microtubules by taxanes.
Elife, 12, 2023
3UQ3
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BU of 3uq3 by Molmil
TPR2AB-domain:pHSP90-complex of yeast Sti1
分子名称: Heat shock protein, Heat shock protein STI1
著者Schmid, A.B, Lagleder, S, Graewert, M.A, Roehl, A, Hagn, F, Wandinger, S.K, Cox, M.B, Demmer, O, Richter, K, Groll, M, Kessler, H, Buchner, J.
登録日2011-11-19
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The architecture of functional modules in the Hsp90 co-chaperone Sti1/Hop.
Embo J., 31, 2012
8BDF
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BU of 8bdf by Molmil
Tubulin-taxane-2a complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F.
登録日2022-10-19
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural insight into the stabilization of microtubules by taxanes.
Elife, 12, 2023
8BDE
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BU of 8bde by Molmil
Tubulin-baccatin III complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Prota, A.E, Lucena-Agell, D, Ma, Y, Estevez-Gallego, J, Li, S, Bargsten, K, Altmann, K.H, Gaillard, N, Kamimura, S, Muehlethaler, T, Gago, F, Oliva, M.A, Steinmetz, M.O, Fang, W.S, Diaz, J.F.
登録日2022-10-19
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Structural insight into the stabilization of microtubules by taxanes.
Elife, 12, 2023
1GSH
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BU of 1gsh by Molmil
STRUCTURE OF ESCHERICHIA COLI GLUTATHIONE SYNTHETASE AT PH 7.5
分子名称: GLUTATHIONE BIOSYNTHETIC LIGASE
著者Matsuda, K, Kato, H, Yamaguchi, H, Nishioka, T, Katsube, Y, Oda, J.
登録日1995-05-16
公開日1996-07-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of glutathione synthetase at optimal pH: domain architecture and structural similarity with other proteins.
Protein Eng., 9, 1996
6OAW
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BU of 6oaw by Molmil
Crystal structure of a CRISPR Cas-related protein
分子名称: UNKNOWN ATOM OR ION, WYL1
著者Zhang, H, Dong, C, Li, L, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2019-03-18
公開日2019-04-10
最終更新日2019-06-12
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into the modulatory role of the accessory protein WYL1 in the Type VI-D CRISPR-Cas system.
Nucleic Acids Res., 47, 2019
8BQD
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BU of 8bqd by Molmil
Yeast 80S ribosome in complex with Map1 (conformation 1)
分子名称: 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ...
著者Knorr, A.G, Mackens-Kiani, T, Musial, J, Berninghausen, O, Becker, T, Beatrix, B, Beckmann, R.
登録日2022-11-21
公開日2023-03-22
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献The dynamic architecture of Map1- and NatB-ribosome complexes coordinates the sequential modifications of nascent polypeptide chains.
Plos Biol., 21, 2023
6OBL
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BU of 6obl by Molmil
JAK2 JH2 in complex with JAK168
分子名称: Tyrosine-protein kinase JAK2, [4-({5-amino-3-[(4-cyanophenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid
著者Krimmer, S.G, Liosi, M.E, Schlessinger, J, Jorgensen, W.L.
登録日2019-03-21
公開日2020-03-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.061 Å)
主引用文献Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core.
J.Med.Chem., 63, 2020
5U17
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BU of 5u17 by Molmil
Structure of human MR1-DA-6-FP in complex with human MAIT A-F7 TCR
分子名称: 2,4-diaminopteridine-6-carbaldehyde, ACETATE ION, Beta-2-microglobulin, ...
著者Keller, A.N, Rossjohn, J.
登録日2016-11-28
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
8BQX
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BU of 8bqx by Molmil
Yeast 80S ribosome in complex with Map1 (conformation 2)
分子名称: 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ...
著者Knorr, A.G, Mackens-Kiani, T, Musial, J, Berninghausen, O, Becker, T, Beatrix, B, Beckmann, R.
登録日2022-11-21
公開日2023-03-22
最終更新日2023-05-03
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献The dynamic architecture of Map1- and NatB-ribosome complexes coordinates the sequential modifications of nascent polypeptide chains.
Plos Biol., 21, 2023
8B54
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BU of 8b54 by Molmil
CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR6768
分子名称: 1,2-ETHANEDIOL, Cyclin-A2, Cyclin-dependent kinase 2, ...
著者Djukic, S, Skerlova, J, Rezacova, P.
登録日2022-09-21
公開日2023-03-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Characterization of new highly selective pyrazolo[4,3-d]pyrimidine inhibitor of CDK7.
Biomed Pharmacother, 161, 2023
5U2V
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BU of 5u2v by Molmil
Structure of human MR1-HMB in complex with human MAIT A-F7 TCR
分子名称: 2-hydroxy-5-methoxybenzaldehyde, Beta-2-microglobulin, GLYCEROL, ...
著者Keller, A.N, Rossjohn, J.
登録日2016-12-01
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
2VC5
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BU of 2vc5 by Molmil
Structural basis for natural lactonase and promiscuous phosphotriesterase activities
分子名称: 1,2-ETHANEDIOL, ARYLDIALKYLPHOSPHATASE, COBALT (II) ION, ...
著者Elias, M, Dupuy, J, Merone, L, Mandrich, L, Moniot, S, Lecomte, C, Rossi, M, Masson, P, Manco, G, Chabriere, E.
登録日2007-09-18
公開日2008-04-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis for Natural Lactonase and Promiscuous Phosphotriesterase Activities.
J.Mol.Biol., 379, 2008
5U79
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Crystal structure of a complex formed between MerB and Dimethyltin
分子名称: ACETATE ION, Alkylmercury lyase, BROMIDE ION, ...
著者Wahba, H.M, Stevenson, M, Mansour, A, Sygusch, J, Wilcox, D.E, Omichinski, J.G.
登録日2016-12-12
公開日2017-01-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.604 Å)
主引用文献Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase MerB Provide New Insights into Its Mechanism of Carbon-Metal Bond Cleavage.
J. Am. Chem. Soc., 139, 2017
7UMP
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BU of 7ump by Molmil
CRYSTAL STRUCTURE OF PHD2 CATALYTIC DOMAIN (CID 7465) IN COMPLEX WITH AKB-6548 AT 1.8 A RESOLUTION
分子名称: 1,2-ETHANEDIOL, Egl nine homolog 1, FE (II) ION, ...
著者Davie, D.R, Abendroth, J, Boyd, J.
登録日2022-04-07
公開日2022-05-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Preclinical Characterization of Vadadustat (AKB-6548), an Oral Small Molecule Hypoxia-Inducible Factor Prolyl-4-Hydroxylase Inhibitor, for the Potential Treatment of Renal Anemia.
J.Pharmacol.Exp.Ther., 383, 2022
6OT4
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BU of 6ot4 by Molmil
Bimetallic dodecameric cage design 2 (BMC2) from cytochrome cb562
分子名称: ACETOHYDROXAMIC ACID, FE (III) ION, HEME C, ...
著者Golub, E, Esselborn, J, Bailey, J.B, Tezcan, F.A.
登録日2019-05-02
公開日2020-01-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Constructing protein polyhedra via orthogonal chemical interactions.
Nature, 578, 2020
6OT7
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Bimetallic dodecameric cage design 3 (BMC3) from cytochrome cb562
分子名称: ACETOHYDROXAMIC ACID, FE (III) ION, HEME C, ...
著者Golub, E, Esselborn, J, Bailey, J.B, Tezcan, F.A.
登録日2019-05-02
公開日2020-01-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Constructing protein polyhedra via orthogonal chemical interactions.
Nature, 578, 2020
6OT8
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BU of 6ot8 by Molmil
Bimetallic hexameric cage design 4 (BMC4) from cytochrome cb562
分子名称: ACETOHYDROXAMIC ACID, FE (III) ION, HEME C, ...
著者Golub, E, Esselborn, J, Bailey, J.B, Tezcan, F.A.
登録日2019-05-02
公開日2020-01-29
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Constructing protein polyhedra via orthogonal chemical interactions.
Nature, 578, 2020
5TBU
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BU of 5tbu by Molmil
Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase complexed with Hypoxanthine
分子名称: DIMETHYL SULFOXIDE, HYPOXANTHINE, Purine nucleoside phosphorylase
著者Faheem, M, Torini, J.R, Romanello, L, Brandao-Neto, J, Pereira, H.M.
登録日2016-09-13
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs.
PLoS ONE, 13, 2018

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件を2024-10-16に公開中

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