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4NBI
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BU of 4nbi by Molmil
D-aminoacyl-tRNA deacylase (DTD) from Plasmodium falciparum in complex with D-tyrosyl-3'-aminoadenosine at 1.86 Angstrom resolution
分子名称: 3'-deoxy-3'-(D-tyrosylamino)adenosine, D-tyrosyl-tRNA(Tyr) deacylase, TRIETHYLENE GLYCOL
著者Ahmad, S, Routh, S.B, Kamarthapu, V, Sankaranarayanan, R.
登録日2013-10-23
公開日2013-12-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Mechanism of chiral proofreading during translation of the genetic code.
Elife, 2, 2013
4NBJ
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BU of 4nbj by Molmil
D-aminoacyl-tRNA deacylase (DTD) from Plasmodium falciparum in complex with D-tyrosyl-3'-aminoadenosine at 2.20 Angstrom resolution
分子名称: 3'-deoxy-3'-(D-tyrosylamino)adenosine, D-tyrosyl-tRNA(Tyr) deacylase
著者Ahmad, S, Routh, S.B, Kamarthapu, V, Sankaranarayanan, R.
登録日2013-10-23
公開日2013-12-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mechanism of chiral proofreading during translation of the genetic code.
Elife, 2, 2013
3ENT
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BU of 3ent by Molmil
Crystal structure of Nitrollin, a betagamma-crystallin from Nitrosospira multiformis-in alternate space group (P65)
分子名称: Putative uncharacterized protein
著者Aravind, P, Sankaranarayanan, R.
登録日2008-09-26
公開日2009-03-31
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Three-dimensional domain swapping in nitrollin, a single-domain betagamma-crystallin from Nitrosospira multiformis, controls protein conformation and stability but not dimerization
J.Mol.Biol., 385, 2009
3ENU
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BU of 3enu by Molmil
Crystal structure of Nitrollin, a betagamma-crystallin from Nitrosospira multiformis
分子名称: Putative uncharacterized protein
著者Aravind, P, Sankaranarayanan, R.
登録日2008-09-26
公開日2009-03-31
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Three-dimensional domain swapping in nitrollin, a single-domain betagamma-crystallin from Nitrosospira multiformis, controls protein conformation and stability but not dimerization
J.Mol.Biol., 385, 2009
3E1H
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BU of 3e1h by Molmil
Crystal structure of a type III polyketide synthase PKSIIINc from Neurospora crassa
分子名称: Putative uncharacterized protein
著者Goyal, A, Rahman, A, Sankaranarayanan, R.
登録日2008-08-04
公開日2008-08-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Structural insights into biosynthesis of resorcinolic lipids by a type III polyketide synthase in Neurospora crassa
J.Struct.Biol., 162, 2008
3PD4
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BU of 3pd4 by Molmil
Crystal structure of the editing domain of threonyl-tRNA synthetase from Pyrococcus abyssi in complex with glycyl-3'-aminoadenosine
分子名称: 3'-deoxy-3'-(glycylamino)adenosine, Threonyl-tRNA synthetase
著者Hussain, T, Kamarthapu, V, Kruparani, S.P, Sankaranarayanan, R.
登録日2010-10-22
公開日2010-12-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanistic insights into cognate substrate discrimination during proofreading in translation
Proc.Natl.Acad.Sci.USA, 2010
3PD3
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BU of 3pd3 by Molmil
Crystal structure of the editing domain of threonyl-tRNA synthetase from Pyrococcus abyssi in complex with threonyl-3'-aminoadenosine
分子名称: 3'-deoxy-3'-(L-threonylamino)adenosine, Threonyl-tRNA synthetase
著者Hussain, T, Kamarthapu, V, Kruparani, S.P, Sankaranarayanan, R.
登録日2010-10-22
公開日2010-12-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Mechanistic insights into cognate substrate discrimination during proofreading in translation
Proc.Natl.Acad.Sci.USA, 2010
3PD5
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BU of 3pd5 by Molmil
Crystal structure of the editing domain of threonyl-tRNA synthetase from Pyrococcus abyssi in complex with an analog of threonyl-adenylate
分子名称: 5'-O-(N-(L-THREONYL)-SULFAMOYL)ADENOSINE, GLYCEROL, Threonyl-tRNA synthetase
著者Hussain, T, Kamarthapu, V, Kruparani, S.P, Sankaranarayanan, R.
登録日2010-10-22
公開日2010-12-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Mechanistic insights into cognate substrate discrimination during proofreading in translation
Proc.Natl.Acad.Sci.USA, 2010
3PD2
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BU of 3pd2 by Molmil
Crystal structure of the editing domain of threonyl-tRNA synthetase from Pyrococcus abyssi in complex with seryl-3'-aminoadenosine
分子名称: SERINE-3'-AMINOADENOSINE, Threonyl-tRNA synthetase
著者Hussain, T, Kamarthapu, V, Kruparani, S.P, Sankaranarayanan, R.
登録日2010-10-22
公開日2010-12-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Mechanistic insights into cognate substrate discrimination during proofreading in translation
Proc.Natl.Acad.Sci.USA, 107, 2010
3SNZ
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BU of 3snz by Molmil
Crystal structure of a mutant W39D of a betagamma-crystallin domain from Clostridium beijerinckii
分子名称: CALCIUM ION, Clostrillin
著者Srivastava, S.S, Sankaranarayanan, R.
登録日2011-06-29
公開日2011-11-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Decoding the molecular design principles underlying Ca(2+) binding to beta gamma-crystallin motifs
J.Mol.Biol., 415, 2012
3SO0
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BU of 3so0 by Molmil
Crystal structure of a mutant T41S of a betagamma-crystallin domain from Clostridium beijerinckii
分子名称: CALCIUM ION, Clostrillin
著者Srivastava, S.S, Sankaranarayanan, R.
登録日2011-06-29
公開日2011-11-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Decoding the molecular design principles underlying Ca(2+) binding to beta gamma-crystallin motifs
J.Mol.Biol., 415, 2012
3SNY
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BU of 3sny by Molmil
Crystal structure of a mutant T82R of a betagamma-crystallin domain from Clostridium beijerinckii
分子名称: CALCIUM ION, Clostrillin, SULFATE ION
著者Srivastava, S.S, Sankaranarayanan, R.
登録日2011-06-29
公開日2011-11-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Decoding the molecular design principles underlying Ca(2+) binding to beta gamma-crystallin motifs
J.Mol.Biol., 415, 2012
3SO1
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BU of 3so1 by Molmil
Crystal structure of a double mutant T41S T82S of a betagamma-crystallin domain from Clostridium beijerinckii
分子名称: CALCIUM ION, Clostrillin, SULFATE ION
著者Srivastava, S.S, Sankaranarayanan, R.
登録日2011-06-29
公開日2011-11-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Decoding the molecular design principles underlying Ca(2+) binding to beta gamma-crystallin motifs
J.Mol.Biol., 415, 2012
5JHK
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BU of 5jhk by Molmil
X-ray structure of neuropilin-1 b1 domain complexed with Arg-6 ligand.
分子名称: N-(benzenecarbonyl)glycyl-L-arginine, Neuropilin-1
著者Fotinou, C, Rana, R, Djordjevic, S, Yelland, T.
登録日2016-04-21
公開日2017-05-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Architecture and hydration of the arginine-binding site of neuropilin-1.
FEBS J., 285, 2018
5JGI
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BU of 5jgi by Molmil
X-ray structure of neuropilin-1 b1 domain complexed with M45 compound
分子名称: N-ALPHA-L-ACETYL-ARGININE, Neuropilin-1
著者Fotinou, C, Rana, R, Djordjevic, S, Yelland, T.
登録日2016-04-20
公開日2017-05-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Architecture and hydration of the arginine-binding site of neuropilin-1.
FEBS J., 285, 2018
5JGQ
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BU of 5jgq by Molmil
X-ray structure of neuropilin-1 b1 domain complexed with Arg-7 ligand.
分子名称: DIMETHYL SULFOXIDE, Neuropilin-1, N~2~-(benzenecarbonyl)-L-arginine
著者Fotinou, C, Rana, R, Djordjevic, S, Yelland, T.
登録日2016-04-20
公開日2017-05-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Architecture and hydration of the arginine-binding site of neuropilin-1.
FEBS J., 285, 2018
5IYY
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BU of 5iyy by Molmil
X-ray structure of neuropilin-1 b1 domain complexed with Arg-4 ligand.
分子名称: Neuropilin-1, N~2~-[(benzyloxy)carbonyl]-L-arginine
著者Fotinou, C, Rana, R, Djordjevic, S, Yelland, T.
登録日2016-03-24
公開日2017-04-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Architecture and hydration of the arginine-binding site of neuropilin-1.
FEBS J., 285, 2018
5J1X
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BU of 5j1x by Molmil
X-ray structure of neuropilin-1 b1 domain complexed with Arg-5 ligand.
分子名称: DIMETHYL SULFOXIDE, Neuropilin-1, N~2~-(tert-butoxycarbonyl)-L-arginine
著者Fotinou, C, Rana, R, Djordjevic, S, Yelland, T.
登録日2016-03-29
公開日2017-04-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Architecture and hydration of the arginine-binding site of neuropilin-1.
FEBS J., 285, 2018
5IJR
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BU of 5ijr by Molmil
X-ray structure of neuropilin-1 b1 domain complexed with Arg-1 ligand.
分子名称: DIMETHYL SULFOXIDE, L-HOMOARGININE, Neuropilin-1
著者Fotinou, C, Rana, R, Djordjevic, S, Yelland, T.
登録日2016-03-02
公開日2017-03-29
最終更新日2018-07-11
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Architecture and hydration of the arginine-binding site of neuropilin-1.
FEBS J., 285, 2018
1WBF
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BU of 1wbf by Molmil
WINGED BEAN LECTIN, SACCHARIDE FREE FORM
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MANGANESE (II) ION, ...
著者Manoj, N, Srinivas, V.R, Suguna, K.
登録日1998-12-16
公開日1999-12-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of basic winged-bean lectin and a comparison with its saccharide-bound form.
Acta Crystallogr.,Sect.D, 55, 1999
4LR6
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BU of 4lr6 by Molmil
Structure of BRD4 bromodomain 1 with a 3-methyl-4-phenylisoxazol-5-amine fragment
分子名称: 3-methyl-4-phenyl-1,2-oxazol-5-amine, Bromodomain-containing protein 4, FORMIC ACID
著者Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Ravichandran, S, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S.
登録日2013-07-19
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors.
ACS Med Chem Lett, 4, 2013
4LRG
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BU of 4lrg by Molmil
Structure of BRD4 bromodomain 1 with a dimethyl thiophene isoxazole azepine carboxamide
分子名称: 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide, Bromodomain-containing protein 4
著者Ravichandran, S, Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S.
登録日2013-07-19
公開日2013-08-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors.
ACS Med Chem Lett, 4, 2013
8ETR
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BU of 8etr by Molmil
CryoEM Structure of NLRP3 NACHT domain in complex with G2394
分子名称: (6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Murray, J.M, Johnson, M.C.
登録日2022-10-17
公開日2022-11-02
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Overcoming Preclinical Safety Obstacles to Discover ( S )- N -((1,2,3,5,6,7-Hexahydro- s -indacen-4-yl)carbamoyl)-6-(methylamino)-6,7-dihydro-5 H -pyrazolo[5,1- b ][1,3]oxazine-3-sulfonamide (GDC-2394): A Potent and Selective NLRP3 Inhibitor.
J.Med.Chem., 65, 2022
5XAQ
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BU of 5xaq by Molmil
Crystal structure of Animalia-specific tRNA deacylase from Mus musculus
分子名称: Probable D-tyrosyl-tRNA(Tyr) deacylase 2
著者Kuncha, K.S, Kattula, B, Sankarnarayanan, R.
登録日2017-03-14
公開日2018-02-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献A chiral selectivity relaxed paralog of DTD for proofreading tRNA mischarging in Animalia
Nat Commun, 9, 2018
5YOJ
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BU of 5yoj by Molmil
Structure of A17 HIV-1 Protease in Complex with Inhibitor KNI-1657
分子名称: (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3 -yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, A17 HIV-1 protease, GLYCEROL
著者Adachi, M, Hidaka, K, Kuroki, R, Kiso, Y.
登録日2017-10-29
公開日2018-07-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine.
J. Med. Chem., 61, 2018

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