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2IXB
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BU of 2ixb by Molmil
Crystal structure of N-ACETYLGALACTOSAMINIDASE in complex with GalNAC
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, ...
著者Sulzenbacher, G, Liu, Q.P, Bourne, Y, Henrissat, B, Clausen, H.
登録日2006-07-07
公開日2007-04-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Bacterial Glycosidases for the Production of Universal Red Blood Cells.
Nat.Biotechnol., 25, 2007
5GZR
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BU of 5gzr by Molmil
Zika virus E protein complexed with a neutralizing antibody Z23-Fab
分子名称: Z23 Fab heavy chain, Z23 Fab light chain, structural protein E, ...
著者Gao, G.G, Shi, Y, Peng, R, Liu, S.
登録日2016-10-01
公開日2016-11-30
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (9.4 Å)
主引用文献Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
5IMX
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BU of 5imx by Molmil
Anaplastic lymphoma kinase (ALK) catalytic domain complexed with novel inhibitor 3-sulfonylpyrazol-4-amino pyrimidine
分子名称: 5-chloro-N~2~-{5-methyl-4-(1-methylpiperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N~4~-{1-methyl-3-[(propan-2-yl)sulfonyl]-1H-pyrazol-4-yl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor
著者Wang, C, Zhang, P, Dong, J.
登録日2016-03-07
公開日2016-05-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Design and synthesis of novel 3-sulfonylpyrazol-4-amino pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
8HF8
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BU of 8hf8 by Molmil
Human PPAR delta ligand binding domain in complex with a synthetic agonist V1
分子名称: 2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta, octyl beta-D-glucopyranoside
著者Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q.
登録日2022-11-09
公開日2023-09-06
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery of the First Subnanomolar PPAR alpha / delta Dual Agonist for the Treatment of Cholestatic Liver Diseases.
J.Med.Chem., 66, 2023
7DL2
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BU of 7dl2 by Molmil
Cryo-EM structure of human TSC complex
分子名称: Hamartin, Isoform 7 of Tuberin, TBC1 domain family member 7, ...
著者Yang, H, Yu, Z, Chen, X, Li, J, Li, N, Cheng, J, Gao, N, Yuan, H, Ye, D, Guan, K, Xu, Y.
登録日2020-11-25
公開日2020-12-16
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structural insights into TSC complex assembly and GAP activity on Rheb.
Nat Commun, 12, 2021
6M1K
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BU of 6m1k by Molmil
USP7 in complex with a novel inhibitor
分子名称: Ubiquitin carboxyl-terminal hydrolase 7, methyl 4-[[4-[[3-[4-(aminomethyl)phenyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-oxidanyl-piperidin-1-yl]methyl]-3-chloranyl-benzoate
著者Liu, S.J, Zhou, X.Y, Li, M.L, Sun, H.B, Wen, X.A.
登録日2020-02-26
公開日2021-03-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.255 Å)
主引用文献N-benzylpiperidinol derivatives as novel USP7 inhibitors: Structure-activity relationships and X-ray crystallographic studies.
Eur.J.Med.Chem., 199, 2020
5IVL
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BU of 5ivl by Molmil
CshA Helicase
分子名称: DEAD-box ATP-dependent RNA helicase CshA, SULFATE ION
著者Huen, J, Lin, C.-L, Yi, W.-L, Li, C.-L, Yuan, H.
登録日2016-03-21
公開日2017-03-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Insights into a Unique Dimeric DEAD-Box Helicase CshA that Promotes RNA Decay.
Structure, 25, 2017
7W0G
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BU of 7w0g by Molmil
Human PPAR delta ligand binding domain in complex with a synthetic agonist H11
分子名称: 2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta
著者Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q.
登録日2021-11-18
公開日2022-02-02
最終更新日2022-02-23
実験手法X-RAY DIFFRACTION (2.443 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Triazolone Derivatives as Potent PPAR alpha / delta Dual Agonists for the Treatment of Nonalcoholic Steatohepatitis.
J.Med.Chem., 65, 2022
4PBP
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BU of 4pbp by Molmil
crystal structure of zebrafish short-chain pentraxin protein
分子名称: C-reactive protein, CALCIUM ION, GLYCEROL
著者Chen, R, Qi, J.X, George, F.G, Xia, C.
登録日2014-04-13
公開日2015-03-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.648 Å)
主引用文献Crystal structures for short-chain pentraxin from zebrafish demonstrate a cyclic trimer with new recognition and effector faces.
J.Struct.Biol., 189, 2015
4PBO
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BU of 4pbo by Molmil
Crystal structure of zebrafish short-chain pentraxin protein without calcium ions
分子名称: C-reactive protein
著者Chen, R, Qi, J.X, George, F.G, Xia, C.
登録日2014-04-13
公開日2015-03-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Crystal structures for short-chain pentraxin from zebrafish demonstrate a cyclic trimer with new recognition and effector faces.
J.Struct.Biol., 189, 2015
4Q4K
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BU of 4q4k by Molmil
Crystal structure of nitronate monooxygenase from Pseudomonas aeruginosa PAO1
分子名称: FLAVIN MONONUCLEOTIDE, Nitronate Monooxygenase
著者Salvi, F, Agniswamy, J, Gadda, G, Weber, I.T.
登録日2014-04-14
公開日2014-07-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献The Combined Structural and Kinetic Characterization of a Bacterial Nitronate Monooxygenase from Pseudomonas aeruginosa PAO1 Establishes NMO Class I and II.
J.Biol.Chem., 289, 2014
4QAS
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BU of 4qas by Molmil
1.27 A resolution structure of CT263-D161N (MTAN) from Chlamydia trachomatis
分子名称: CT263, SULFATE ION
著者Barta, M.L, Thomas, K, Lovell, S, Battaile, K.P, Schramm, V.L, Hefty, P.S.
登録日2014-05-05
公開日2014-10-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural and Biochemical Characterization of Chlamydia trachomatis Hypothetical Protein CT263 Supports That Menaquinone Synthesis Occurs through the Futalosine Pathway.
J.Biol.Chem., 289, 2014
4QAQ
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BU of 4qaq by Molmil
1.58 A resolution structure of CT263 (MTAN) from Chlamydia trachomatis
分子名称: CT263, SULFATE ION
著者Barta, M.L, Thomas, K, Lovell, S, Battaile, K.P, Schramm, V.L, Hefty, P.S.
登録日2014-05-05
公開日2014-10-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural and Biochemical Characterization of Chlamydia trachomatis Hypothetical Protein CT263 Supports That Menaquinone Synthesis Occurs through the Futalosine Pathway.
J.Biol.Chem., 289, 2014
4QFB
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BU of 4qfb by Molmil
1.99 A resolution structure of SeMet-CT263 (MTAN) from Chlamydia trachomatis
分子名称: CT263
著者Barta, M.L, Thomas, K, Lovell, S, Battaile, K.P, Schramm, V.L, Hefty, P.S.
登録日2014-05-20
公開日2014-10-01
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.986 Å)
主引用文献Structural and Biochemical Characterization of Chlamydia trachomatis Hypothetical Protein CT263 Supports That Menaquinone Synthesis Occurs through the Futalosine Pathway.
J.Biol.Chem., 289, 2014
4QAT
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BU of 4qat by Molmil
1.75 A resolution structure of CT263-D161N (MTAN) from Chlamydia trachomatis bound to MTA
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, CT263
著者Barta, M.L, Thomas, K, Lovell, S, Battaile, K.P, Schramm, V.L, Hefty, P.S.
登録日2014-05-05
公開日2014-10-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and Biochemical Characterization of Chlamydia trachomatis Hypothetical Protein CT263 Supports That Menaquinone Synthesis Occurs through the Futalosine Pathway.
J.Biol.Chem., 289, 2014
4QAR
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BU of 4qar by Molmil
1.45 A resolution structure of CT263 (MTAN) from Chlamydia trachomatis bound to Adenine
分子名称: ADENINE, CT263, SULFATE ION
著者Barta, M.L, Thomas, K, Lovell, S, Battaile, K.P, Schramm, V.L, Hefty, P.S.
登録日2014-05-05
公開日2014-10-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural and Biochemical Characterization of Chlamydia trachomatis Hypothetical Protein CT263 Supports That Menaquinone Synthesis Occurs through the Futalosine Pathway.
J.Biol.Chem., 289, 2014
3DBG
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BU of 3dbg by Molmil
Crystal structure of Cytochrome P450 170A1 (CYP170A1) from Streptomyces coelicolor
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450
著者Zhao, B, Vassylyev, D.G, Waterman, M.R.
登録日2008-05-31
公開日2009-06-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of albaflavenone monooxygenase containing a moonlighting terpene synthase active site
J.Biol.Chem., 284, 2009
3EL3
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BU of 3el3 by Molmil
Distinct Monooxygenase and Farnesene Synthase Active Sites in Cytochrome P450 170A1
分子名称: (3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450
著者Zhao, B, Waterman, M.R.
登録日2008-09-19
公開日2009-09-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structure of albaflavenone monooxygenase containing a moonlighting terpene synthase active site
J.Biol.Chem., 284, 2009
7C6O
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BU of 7c6o by Molmil
Catalytic Subunit of Cobaltochelatase from Mycobacterium tuberculosis
分子名称: Cobalamin biosynthesis protein CobN, GLYCEROL, SODIUM ION
著者Zhang, J, Liu, L.
登録日2020-05-22
公開日2020-12-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Crystal structure of the large subunit of cobaltochelatase from Mycobacterium tuberculosis.
Proteins, 89, 2021
3GV3
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BU of 3gv3 by Molmil
CXCL12 (SDF) in trigonal space group
分子名称: CXCL12 protein
著者Murphy, J.W, Crichlow, G, Lolis, E.
登録日2009-03-30
公開日2010-01-26
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Heterologous quaternary structure of CXCL12 and its relationship to the CC chemokine family.
Proteins, 78, 2009
3NYE
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BU of 3nye by Molmil
Crystal Structure of Pseudomonas aeruginosa D-Arginine Dehydrogenase in Complex with Imino-Arginine
分子名称: (2E)-5-[(diaminomethylidene)amino]-2-iminopentanoic acid, D-Arginine Dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE
著者Fu, G, Weber, I.T.
登録日2010-07-14
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Conformational changes and substrate recognition in Pseudomonas aeruginosa D-arginine dehydrogenase.
Biochemistry, 49, 2010
8H56
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BU of 8h56 by Molmil
Crystal structure of Rep' of porcine circovirus type 2
分子名称: Isoform Rep' of Replication-associated protein
著者Guan, S.Y, Song, Y.F.
登録日2022-10-12
公開日2023-05-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Crystal structure of the dimerized of porcine circovirus type II replication-related protein Rep'.
Proteins, 91, 2023
3SM8
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Crystal Structure of Pseudomonas aeruginosa D-Arginine Dehydrogenase in Complex with an (N5) Flavin Adduct
分子名称: FAD-dependent catabolic D-arginine dehydrogenase, DauA, GLYCEROL, ...
著者Fu, G, Weber, I.T.
登録日2011-06-27
公開日2011-07-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Atomic-resolution structure of an N5 flavin adduct in D-arginine dehydrogenase.
Biochemistry, 50, 2011
2NZA
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BU of 2nza by Molmil
Structure and Function Studies of Cytochrome P450 158A1 from Streptomyces coelicolor A3(2)
分子名称: Cytochrome P450 CYP158A1, PROTOPORPHYRIN IX CONTAINING FE
著者Zhao, B, Waterman, M.R.
登録日2006-11-22
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Different binding modes of two flaviolin substrate molecules in cytochrome P450 158A1 (CYP158A1) compared to CYP158A2.
Biochemistry, 46, 2007
2NZ5
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Structure and Function Studies of Cytochrome P450 158A1 from Streptomyces coelicolor A3(2)
分子名称: Cytochrome P450 CYP158A1, PROTOPORPHYRIN IX CONTAINING FE, naphthalene-1,2,4,5,7-pentol
著者Zhao, B, Lamb, D.C, Kelly, S.L, Waterman, M.R.
登録日2006-11-22
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Different binding modes of two flaviolin substrate molecules in cytochrome P450 158A1 (CYP158A1) compared to CYP158A2.
Biochemistry, 46, 2007

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