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7ET7
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BU of 7et7 by Molmil
Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with tricyclic small molecule inhibitor JBSNF-000028
分子名称: 10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Swaminathan, S, Gosu, R, Birudukota, S, Kandan, S, Vaithilingam, K.
登録日2021-05-12
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Novel tricyclic small molecule inhibitors of Nicotinamide N-methyltransferase for the treatment of metabolic disorders.
Sci Rep, 12, 2022
5W5A
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BU of 5w5a by Molmil
Crystal structure of Mycobacterium tuberculosis CRP-FNR family transcription factor Cmr (Rv1675c)
分子名称: CHLORIDE ION, HTH-type transcriptional regulator Cmr, SULFATE ION
著者Cheung, J, Cassidy, M, Ginter, C, Ranganathan, S, Pata, D.J, McDonough, K.A.
登録日2017-06-14
公開日2017-12-13
最終更新日2019-01-09
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Novel structural features drive DNA binding properties of Cmr, a CRP family protein in TB complex mycobacteria.
Nucleic Acids Res., 46, 2018
5W5B
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BU of 5w5b by Molmil
Crystal structure of Mycobacterium tuberculosis CRP-FNR family transcription factor Cmr (Rv1675c), truncated construct
分子名称: CHLORIDE ION, HTH-type transcriptional regulator Cmr
著者Cheung, J, Cassidy, M, Ginter, C, Ranganathan, S, Pata, D.J, McDonough, K.A.
登録日2017-06-14
公開日2017-12-13
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Novel structural features drive DNA binding properties of Cmr, a CRP family protein in TB complex mycobacteria.
Nucleic Acids Res., 46, 2018
1MQ7
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BU of 1mq7 by Molmil
CRYSTAL STRUCTURE OF DUTPASE FROM MYCOBACTERIUM TUBERCULOSIS (RV2697C)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE
著者Sawaya, M.R, Chan, S, Segelke, B.W, Lekin, T, Heike, K, Cho, U.S, Naranjo, C, Perry, L.J, Yeates, T.O, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2002-09-13
公開日2002-10-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of the Mycobacterium tuberculosis dUTPase: insights into the catalytic mechanism.
J.Mol.Biol., 341, 2004
5VOC
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BU of 5voc by Molmil
Crystal structure of HCMV Pentamer in complex with neutralizing antibody 8I21 - Low resolution dataset for initial phasing by SAD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, Envelope glycoprotein L, ...
著者Malito, E, Chandramouli, S.
登録日2017-05-02
公開日2017-07-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.99 Å)
主引用文献Structural basis for potent antibody-mediated neutralization of human cytomegalovirus.
Sci Immunol, 2, 2017
4LF2
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BU of 4lf2 by Molmil
Hexameric Form II RuBisCO from Rhodopseudomonas palustris, activated and complexed with sulfate and magnesium
分子名称: CARBONATE ION, MAGNESIUM ION, Ribulose bisphosphate carboxylase, ...
著者Chan, S, Satagopan, S, Sawaya, M.R, Eisenberg, D, Tabita, F.R, Perry, L.J.
登録日2013-06-26
公開日2014-06-25
最終更新日2016-07-20
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structure-function studies with the unique hexameric form II ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco) from Rhodopseudomonas palustris.
J.Biol.Chem., 289, 2014
4LF1
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BU of 4lf1 by Molmil
Hexameric Form II RuBisCO from Rhodopseudomonas palustris, activated and complexed with 2-CABP
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase
著者Chan, S, Satagopan, S, Sawaya, M.R, Eisenberg, D, Tabita, F.R, Perry, L.J.
登録日2013-06-26
公開日2014-06-25
最終更新日2016-07-20
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structure-function studies with the unique hexameric form II ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco) from Rhodopseudomonas palustris.
J.Biol.Chem., 289, 2014
2OG2
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BU of 2og2 by Molmil
Crystal structure of chloroplast FtsY from Arabidopsis thaliana
分子名称: MAGNESIUM ION, MALONATE ION, Putative signal recognition particle receptor
著者Chartron, J, Chandrasekar, S, Ampornpan, P.J, Shan, S.
登録日2007-01-04
公開日2007-12-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the Chloroplast Signal Recognition Particle (SRP) Receptor: Domain Arrangement Modulates SRP-Receptor Interaction.
J.Mol.Biol., 375, 2007
3PJI
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BU of 3pji by Molmil
Crystal structure of AgamOBP22a at 1.7 angstrom in the open status for ligand binding.
分子名称: AMMONIUM ION, Odorant binding protein (AGAP010409-PA)
著者Zhang, S, Ren, H.
登録日2010-11-10
公開日2012-01-11
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (1.704 Å)
主引用文献Crystal Structures of Anopheles gambiae Odorant-binding Protein AgamOBP22a and Complexes with Bound Odorants
To be Published
12E8
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BU of 12e8 by Molmil
2E8 FAB FRAGMENT
分子名称: IGG1-KAPPA 2E8 FAB (HEAVY CHAIN), IGG1-KAPPA 2E8 FAB (LIGHT CHAIN)
著者Rupp, B, Trakhanov, S.
登録日1998-03-14
公開日1998-08-05
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of a monoclonal 2E8 Fab antibody fragment specific for the low-density lipoprotein-receptor binding region of apolipoprotein E refined at 1.9 A.
Acta Crystallogr.,Sect.D, null, 1999
1TWO
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BU of 1two by Molmil
NMR structure of the pheromone binding protein from Antheraea polyphemus at acidic pH
分子名称: Pheromone-binding protein
著者Mohanty, S, Zubkov, S.
登録日2004-07-01
公開日2005-10-25
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Structural Consequences of the pH-induced Conformational Switch in A.polyphemus Pheromone-binding Protein: Mechanisms of Ligand Release
J.Mol.Biol., 354, 2005
7X25
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BU of 7x25 by Molmil
MERS-CoV spike complex with S41 neutralizing antibody Fab Class4 (2u1d RBD with 3Fab)
分子名称: Spike glycoprotein, antibody S41 heavy chain, antibody S41 light chain
著者Zeng, J, Zhang, S, Zhou, H, Wang, X.
登録日2022-02-25
公開日2023-01-18
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (2.49 Å)
主引用文献Cryoelectron microscopy structures of a human neutralizing antibody bound to MERS-CoV spike glycoprotein.
Front Microbiol, 13, 2022
7WHU
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BU of 7whu by Molmil
Human Neutrophil Elastase in-complex with Ecotin Peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ecotin Peptide, ...
著者Shankar, S, Jayaraman, S.
登録日2021-12-31
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Sequence preference and scaffolding requirement for the inhibition of human neutrophil elastase by ecotin peptide
Protein Sci., 31, 2022
3DOX
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BU of 3dox by Molmil
X-ray structure of HIV-1 protease in situ product complex
分子名称: A PEPTIDE SUBSTRATE-PIV, A PEPTIDE SUBSTRATE-SQNY, HIV-1 PROTEASE
著者Hosur, M.V, Ferrer, J.-L, Das, A, Prashar, V, Bihani, S.
登録日2008-07-07
公開日2008-09-09
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structure of HIV-1 protease in situ product complex
Proteins, 74, 2009
7FCD
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BU of 7fcd by Molmil
Structure of the SARS-CoV-2 A372T spike glycoprotein (open)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Wang, X, Zhang, S.
登録日2021-07-14
公開日2022-01-26
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Loss of Spike N370 glycosylation as an important evolutionary event for the enhanced infectivity of SARS-CoV-2.
Cell Res., 32, 2022
7FCE
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BU of 7fce by Molmil
Structure of the SARS-CoV-2 A372T spike glycoprotein (closed)
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
著者Wang, X, Zhang, S.
登録日2021-07-14
公開日2022-01-26
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Loss of Spike N370 glycosylation as an important evolutionary event for the enhanced infectivity of SARS-CoV-2.
Cell Res., 32, 2022
3Q4H
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BU of 3q4h by Molmil
Crystal structure of the Mycobacterium smegmatis EsxGH complex (MSMEG_0620-MSMEG_0621)
分子名称: Low molecular weight protein antigen 7, Pe family protein
著者Chan, S, Harris, L, Kuo, E, Ahn, C, Zhou, T.T, Nguyen, L, Shin, A, Sawaya, M.R, Cascio, D, Arbing, M.A, Eisenberg, D, Integrated Center for Structure and Function Innovation (ISFI), TB Structural Genomics Consortium (TBSGC)
登録日2010-12-23
公開日2011-01-26
最終更新日2014-05-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Heterologous expression of mycobacterial Esx complexes in Escherichia coli for structural studies is facilitated by the use of maltose binding protein fusions.
Plos One, 8, 2013
5OWF
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BU of 5owf by Molmil
Structure of a LAO-binding protein mutant with glutamine
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLUTAMINE, ...
著者Shanmugaratnam, S, Banda-Vazquez, J, Sosa-Peinado, A, Hocker, B.
登録日2017-08-31
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Redesign of LAOBP to bind novel l-amino acid ligands.
Protein Sci., 27, 2018
1VF9
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BU of 1vf9 by Molmil
Solution Structure Of Human Trf2
分子名称: Telomeric repeat binding factor 2
著者Nishimura, Y, Hanaoka, S.
登録日2004-04-12
公開日2005-05-17
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Comparison between TRF2 and TRF1 of their telomeric DNA-bound structures and DNA-binding activities
Protein Sci., 14, 2005
1VFC
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BU of 1vfc by Molmil
Solution Structure Of The DNA Complex Of Human Trf2
分子名称: Short C-rich starnd, Short G-rich strand, Telomeric repeat binding factor 2
著者Nishimura, Y, Hanaoka, S.
登録日2004-04-12
公開日2005-05-17
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Comparison between TRF2 and TRF1 of their telomeric DNA-bound structures and DNA-binding activities
Protein Sci., 14, 2005
2RHB
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BU of 2rhb by Molmil
Crystal structure of Nsp15-H234A mutant- Hexamer in asymmetric unit
分子名称: Uridylate-specific endoribonuclease
著者Palaninathan, S, Bhardwaj, K, Alcantara, J.M.O, Guarino, L, Yi, L.L, Kao, C.C, Sacchettini, J.
登録日2007-10-08
公開日2007-11-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and functional analyses of the severe acute respiratory syndrome coronavirus endoribonuclease Nsp15.
J.Biol.Chem., 283, 2008
2ETF
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BU of 2etf by Molmil
Crystal structure of full length botulinum neurotoxin (Type B) light chain
分子名称: Botulinum neurotoxin B light chain, SULFATE ION, ZINC ION
著者Swaminathan, S, Eswaramoorthy, S.
登録日2005-10-27
公開日2005-12-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal structure of full length botulinum neurotoxin (Type B) light chain
To be Published
2EUI
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BU of 2eui by Molmil
Crystal structure of a probable acetyltransferase
分子名称: Probable acetyltransferase
著者Swaminathan, S, Eswaramoorthy, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2005-10-28
公開日2005-12-06
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of a probable acetyltransferase
To be Published
1SLH
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BU of 1slh by Molmil
Mycobacterium tuberculosis dUTPase complexed with magnesium and dUDP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DEOXYURIDINE-5'-DIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
著者Sawaya, M.R, Chan, S, Segelke, B, Lekin, T, Krupka, H, Cho, U.S, Kim, M.-Y, So, M, Kim, C.-Y, Naranjo, C.M, Rogers, Y.C, Park, M.S, Waldo, G.S, Pashkov, I, Cascio, D, Yeates, T.O, Perry, J.L, Terwilliger, T.C, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2004-03-05
公開日2004-03-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of the Mycobacterium tuberculosis dUTPase: insights into the catalytic mechanism.
J.Mol.Biol., 341, 2004
1SNF
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BU of 1snf by Molmil
MYCOBACTERIUM TUBERCULOSIS DUTPASE COMPLEXED WITH MAGNESIUM AND DEOXYURIDINE 5'-MONOPHOSPHATE
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
著者Sawaya, M.R, Chan, S, Segelke, B, Lekin, T, Krupka, H, Cho, U.S, Kim, M.-Y, So, M, Kim, C.-Y, Naranjo, C.M, Rogers, Y.C, Park, M.S, Waldo, G.S, Pashkov, I, Cascio, D, Yeates, T.O, Perry, J.L, Terwilliger, T.C, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2004-03-10
公開日2004-03-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of the Mycobacterium tuberculosis dUTPase: insights into the catalytic mechanism.
J.Mol.Biol., 341, 2004

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