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4ZI7
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BU of 4zi7 by Molmil
CRYSTAL STRUCTURE OF TUBULIN-STATHMIN-TTL-HTI286 COMPLEX
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Wang, Y, Zhang, R.
登録日2015-04-27
公開日2016-07-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016
5IPJ
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BU of 5ipj by Molmil
Crystal structure of human Pim-1 kinase in complex with a quinazolinone-pyrrolopyrrolone inhibitor.
分子名称: 2-(tert-butylamino)-3-methyl-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one, GLYCEROL, Serine/threonine-protein kinase pim-1
著者Mohr, C.
登録日2016-03-09
公開日2016-06-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and Optimization of Quinazolinone-pyrrolopyrrolones as Potent and Orally Bioavailable Pan-Pim Kinase Inhibitors.
J.Med.Chem., 59, 2016
8JTN
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BU of 8jtn by Molmil
Tudor domain of TDRD3 in complex with a small molecule
分子名称: 2-propyl-2-azoniatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7-trien-8-amine, Tudor domain-containing protein 3
著者Chen, M, Wang, Z, Li, W, Shang, X, Liu, Y.
登録日2023-06-22
公開日2023-08-09
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Tudor domain of TDRD3 in complex with a small molecule antagonist.
Biochim Biophys Acta Gene Regul Mech, 1866, 2023
5D2S
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BU of 5d2s by Molmil
Crystal structure of STPR from Bombyx mori in complex with 18-bp DNA containing four repetitive units of ATAC
分子名称: DNA (36-MER), Fibroin-modulator-binding protein-1
著者Cheng, W.
登録日2015-08-06
公開日2016-03-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of an all-alpha protein running along the DNA major groove.
Nucleic Acids Res., 2016
4ZXM
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BU of 4zxm by Molmil
Crystal structure of PGRP domain from Branchiostoma belcheri tsingtauense peptidoglycan recognition protein 3
分子名称: PGRP domain of peptidoglycan recognition protein 3
著者Wang, W.J, Cheng, W, Jiang, Y.L, Yu, H.M, Luo, M.
登録日2015-05-20
公開日2015-10-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Activity Augmentation of Amphioxus Peptidoglycan Recognition Protein BbtPGRP3 via Fusion with a Chitin Binding Domain
Plos One, 10, 2015
5D2Q
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BU of 5d2q by Molmil
Crystal structure of STPR from Bombyx Mori in complex with 20-bp DNA derived from +290 site of the fibroin gene
分子名称: DNA (40-MER), Fibroin-modulator-binding protein-1
著者Cheng, W.
登録日2015-08-06
公開日2016-03-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of an all-alpha protein running along the DNA major groove.
Nucleic Acids Res., 2016
7XX4
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BU of 7xx4 by Molmil
designed glycosyltransferase
分子名称: Oleandomycin glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Lu, M, Wu, X.
登録日2022-05-28
公開日2023-06-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Design of a chimeric glycosyltransferase OleD for the site-specific O-monoglycosylation of 3-hydroxypyridine in nosiheptide.
Microb Biotechnol, 16, 2023
7Y9O
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BU of 7y9o by Molmil
Crystal structure of a CYP109B4 variant from Bacillus sonorensis
分子名称: CALCIUM ION, Cytochrome P450 monooxygenase YjiB, IMIDAZOLE, ...
著者Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T.
登録日2022-06-25
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family
Acs Catalysis, 13, 2023
7Y97
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Crystal structure of CYP109B4 from Bacillus Sonorensis
分子名称: Cytochrome P450 monooxygenase YjiB, PROTOPORPHYRIN IX CONTAINING FE
著者Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T.
登録日2022-06-24
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family
Acs Catalysis, 13, 2023
7Y98
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Crystal structure of CYP109B4 from Bacillus Sonorensis in complex with Testosterone
分子名称: Cytochrome P450 monooxygenase YjiB, PROTOPORPHYRIN IX CONTAINING FE, TESTOSTERONE
著者Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T.
登録日2022-06-24
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family
Acs Catalysis, 13, 2023
5F2R
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BU of 5f2r by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with AMP-PCP
分子名称: 78 kDa glucose-regulated protein, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
著者Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W.
登録日2015-12-02
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
5EXW
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BU of 5exw by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with 7-deaza-ATP
分子名称: 7-deazaadenosine-5'-triphosphate, 78 kDa glucose-regulated protein
著者Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W.
登録日2015-11-24
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
5F1X
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BU of 5f1x by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with ATP
分子名称: 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE
著者Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W.
登録日2015-11-30
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
5EY4
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BU of 5ey4 by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with 2'-deoxy-ATP
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 78 kDa glucose-regulated protein
著者Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W.
登録日2015-11-24
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
5F0X
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Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with 2'-deoxy-ADP and inorganic phosphate
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, 78 kDa glucose-regulated protein, ...
著者Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W.
登録日2015-11-28
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
5EX5
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BU of 5ex5 by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with 7-deaza-ADP and inorganic phosphate
分子名称: 7-deazaadenosine-5'-diphosphate, 78 kDa glucose-regulated protein, MAGNESIUM ION, ...
著者Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W.
登録日2015-11-23
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
5EVZ
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BU of 5evz by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with ADP and inorganic phosphate
分子名称: 78 kDa glucose-regulated protein, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W.
登録日2015-11-20
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
1YYB
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BU of 1yyb by Molmil
Solution structure of 1-26 fragment of human programmed cell death 5 protein
分子名称: Programmed cell death protein 5
著者Liu, D.S, Feng, Y.G, Yao, H.W, Wang, J.F.
登録日2005-02-24
公開日2005-09-13
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献The N-terminal 26-residue fragment of human programmed cell death 5 protein can form a stable alpha-helix having unique electrostatic potential character.
Biochem.J., 392, 2005
5CD3
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BU of 5cd3 by Molmil
Structure of immature VRC01-class antibody DRVIA7
分子名称: DRVIA7 Heavy Chain, DRVIA7 Light Chain
著者Kong, L, Wilson, I.A.
登録日2015-07-02
公開日2016-04-06
最終更新日2018-09-05
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Key gp120 Glycans Pose Roadblocks to the Rapid Development of VRC01-Class Antibodies in an HIV-1-Infected Chinese Donor.
Immunity, 44, 2016
4JII
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BU of 4jii by Molmil
Crystal Structure Of AKR1B10 Complexed With NADP+ And Zopolrestat
分子名称: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC)
登録日2013-03-06
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
5CD5
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BU of 5cd5 by Molmil
Crystal structure of an immature VRC01-class antibody DRVIA7 from a Chinese donor bound to clade A/E HIV-1 gp120 core
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 93TH057 HIV-1 gp120 core, ...
著者Kong, L, Wilson, I.A.
登録日2015-07-03
公開日2016-04-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.396 Å)
主引用文献Key gp120 Glycans Pose Roadblocks to the Rapid Development of VRC01-Class Antibodies in an HIV-1-Infected Chinese Donor.
Immunity, 44, 2016
4NWK
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BU of 4nwk by Molmil
Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide
分子名称: GLYCEROL, HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ...
著者Muckelbauer, J.K, Klei, H.E.
登録日2013-12-06
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
7XOE
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Cryo-EM structure of S glycoprotein encoded by the Covid-19 mRNA vaccine candidate RQ3013 (Prefusion state)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,peptide
著者Wu, Z, Yu, Z, Tan, S, Lu, J, Lu, G, Lin, J.
登録日2022-05-01
公開日2024-02-14
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Preclinical evaluation of RQ3013, a broad-spectrum mRNA vaccine against SARS-CoV-2 variants.
Sci Bull (Beijing), 68, 2023
7XOG
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Cryo-EM structure of S glycoprotein encoded by the Covid-19 mRNA vaccine candidate RQ3013 (Postfusion state)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,peptide, ...
著者Wu, Z, Yu, Z, Tan, S, Lu, J, Lu, G, Lin, J.
登録日2022-05-01
公開日2024-03-20
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Preclinical evaluation of RQ3013, a broad-spectrum mRNA vaccine against SARS-CoV-2 variants.
Sci Bull (Beijing), 68, 2023
6U1V
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BU of 6u1v by Molmil
Crystal structure of acyl-ACP/acyl-CoA dehydrogenase from allylmalonyl-CoA and FK506 biosynthesis, TcsD
分子名称: Acyl-CoA dehydrogenase domain-containing protein, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
著者Blake-Hedges, J.M, Pereira, J.H, Barajas, J.F, Adams, P.D, Keasling, J.D.
登録日2019-08-16
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Mechanism of Regioselectivity in an Unusual Bacterial Acyl-CoA Dehydrogenase.
J.Am.Chem.Soc., 142, 2020

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