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6M78
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Aromatic interactions drive the coupled folding and binding of the intrinsically disordered Sesbania mosaic virus VPg protein
分子名称: Polyprotein
著者Dixit, K, Karanth, N.M, Nair, S, Kumari, K, Chakraborti, K.S, Savithri, H.S, Sarma, S.P.
登録日2020-03-17
公開日2021-01-27
実験手法SOLUTION NMR
主引用文献Aromatic Interactions Drive the Coupled Folding and Binding of the Intrinsically Disordered Sesbania mosaic Virus VPg Protein.
Biochemistry, 59, 2020
6LXF
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BU of 6lxf by Molmil
Aromatic interactions drive the coupled folding and binding of the intrinsically disordered Sesbania mosaic virus VPg protein.
分子名称: Polyprotein
著者Dixit, K, Karanth, N.M, Nair, S, Kumari, K, Chakrabarti, K.S, Savithri, H.S, Sarma, S.P.
登録日2020-02-11
公開日2021-01-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Aromatic Interactions Drive the Coupled Folding and Binding of the Intrinsically Disordered Sesbania mosaic Virus VPg Protein.
Biochemistry, 59, 2020
3FS4
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BU of 3fs4 by Molmil
Crystal structure determination of Ostrich hemoglobin at 2.2 Angstrom resolution
分子名称: Hemoglobin subunit alpha-A, Hemoglobin subunit beta, OXYGEN MOLECULE, ...
著者Sundaresan, S.S, Ramesh, P, Sivakumar, K, Ponnuswamy, M.N.
登録日2009-01-09
公開日2009-03-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structural studies of hemoglobin from two flightless birds, ostrich and turkey: insights into their differing oxygen-binding properties.
Acta Crystallogr D Struct Biol, 77, 2021
1IL9
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BU of 1il9 by Molmil
STRUCTURE OF RICIN A CHAIN BOUND WITH INHIBITOR 8-METHYL-9-OXOGUANINE
分子名称: 5-AMINO-2-METHYL-6H-OXAZOLO[5,4-D]PYRIMIDIN-7-ONE, RICIN A CHAIN
著者Miller, D.J, Ravikumar, K, Shen, H, Suh, J.-K, Kerwin, S.M, Robertus, J.D.
登録日2001-05-07
公開日2002-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure-based design and characterization of novel platforms for ricin and shiga toxin inhibition.
J.Med.Chem., 45, 2002
1IL4
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STRUCTURE OF RICIN A CHAIN BOUND WITH INHIBITOR 9-DEAZAGUANINE
分子名称: 9-DEAZAGUANINE, RICIN A CHAIN
著者Miller, D.J, Ravikumar, K, Shen, H, Suh, J.-K, Kerwin, S.M, Robertus, J.D.
登録日2001-05-07
公開日2002-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-based design and characterization of novel platforms for ricin and shiga toxin inhibition.
J.Med.Chem., 45, 2002
1IL5
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BU of 1il5 by Molmil
STRUCTURE OF RICIN A CHAIN BOUND WITH INHIBITOR 2,5-DIAMINO-4,6-DIHYDROXYPYRIMIDINE (DDP)
分子名称: 2,4-DIAMINO-4,6-DIHYDROXYPYRIMIDINE, RICIN A CHAIN
著者Miller, D.J, Ravikumar, K, Shen, H, Suh, J.-K, Kerwin, S.M, Robertus, J.D.
登録日2001-05-07
公開日2002-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based design and characterization of novel platforms for ricin and shiga toxin inhibition.
J.Med.Chem., 45, 2002
1IL3
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BU of 1il3 by Molmil
STRUCTURE OF RICIN A CHAIN BOUND WITH INHIBITOR 7-DEAZAGUANINE
分子名称: 7-DEAZAGUANINE, RICIN A CHAIN
著者Miller, D.J, Ravikumar, K, Shen, H, Suh, J.-K, Kerwin, S.M, Robertus, J.D.
登録日2001-05-07
公開日2002-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based design and characterization of novel platforms for ricin and shiga toxin inhibition.
J.Med.Chem., 45, 2002
6FOP
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Glycoside hydrolase family 81 from Clostridium thermocellum (CtLam81A), Mutant E515A
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Correia, M.A.S.C, Carvalho, A.L.
登録日2018-02-08
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Novel insights into the degradation of beta-1,3-glucans by the cellulosome of Clostridium thermocellum revealed by structure and function studies of a family 81 glycoside hydrolase.
Int.J.Biol.Macromol., 117, 2018
6UWY
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BU of 6uwy by Molmil
DYRK1A bound to a harmine derivative
分子名称: 4-(7-methoxy-1-methyl-9H-beta-carbolin-9-yl)butanamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, TETRAETHYLENE GLYCOL
著者Khamrui, S, Lazarus, M.B.
登録日2019-11-05
公開日2020-02-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Synthesis and Biological Validation of a Harmine-Based, Central Nervous System (CNS)-Avoidant, Selective, Human beta-Cell Regenerative Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase A (DYRK1A) Inhibitor.
J.Med.Chem., 63, 2020
4YQU
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BU of 4yqu by Molmil
Glutathione S-transferase Omega 1 bound to covalent inhibitor C1-31
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutathione S-transferase omega-1, N-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide
著者Stuckey, J.A.
登録日2015-03-13
公開日2016-10-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor.
Nat Commun, 7, 2016
4YQM
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Glutathione S-transferase Omega 1 bound to covalent inhibitor C1-27
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide, Glutathione S-transferase omega-1
著者Stuckey, J.A.
登録日2015-03-13
公開日2016-10-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor.
Nat Commun, 7, 2016
4YQV
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BU of 4yqv by Molmil
Glutathione S-transferase Omega 1 bound to covalent inhibitor C4-10
分子名称: 2-(ethylsulfanyl)-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]acetamide, Glutathione S-transferase omega-1
著者Stuckey, J.A.
登録日2015-03-13
公開日2016-10-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor.
Nat Commun, 7, 2016
9BJK
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BU of 9bjk by Molmil
Inactive mu opioid receptor bound to Nb6, naloxone and NAM
分子名称: Mu-type opioid receptor, Naloxone, Nalpha-[({(1M)-1-[5-(benzyloxy)pyridin-3-yl]naphthalen-2-yl}sulfanyl)acetyl]-3-methoxy-N,4-dimethyl-L-phenylalaninamide, ...
著者O'Brien, E.S, Wang, H, Kaavya Krishna, K, Zhang, C, Kobilka, B.K.
登録日2024-04-25
公開日2024-07-17
最終更新日2024-08-14
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献A mu-opioid receptor modulator that works cooperatively with naloxone.
Nature, 631, 2024
9BR7
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BU of 9br7 by Molmil
Crystal structure of human succinyl-CoA:glutarate-CoA transferase (SUGCT) in complex with Losartan carboxylic acid
分子名称: AMMONIUM ION, SULFATE ION, Succinate--hydroxymethylglutarate CoA-transferase, ...
著者Wu, R, Lazarus, M.B.
登録日2024-05-10
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Characterization, Structure, and Inhibition of the Human Succinyl-CoA:glutarate-CoA Transferase, a Putative Genetic Modifier of Glutaric Aciduria Type 1.
Acs Chem.Biol., 19, 2024
9BR6
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BU of 9br6 by Molmil
Crystal structure of human succinyl-CoA:glutarate-CoA transferase (SUGCT)
分子名称: Succinate--hydroxymethylglutarate CoA-transferase
著者Khamrui, S, Lazarus, M.B.
登録日2024-05-10
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Characterization, Structure, and Inhibition of the Human Succinyl-CoA:glutarate-CoA Transferase, a Putative Genetic Modifier of Glutaric Aciduria Type 1.
Acs Chem.Biol., 19, 2024
8ABX
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BU of 8abx by Molmil
Crystal structure of IDO1 in complex with Apoxidole-1
分子名称: Indoleamine 2,3-dioxygenase 1, O1-tert-butyl O2-ethyl O5-methyl (E,5R)-5-(1-methylindol-2-yl)-5-[(4-methylphenyl)sulfonylamino]pent-2-ene-1,2,5-tricarboxylate, O2-tert-butyl O3-ethyl O6-methyl (2S,6R)-6-(1-methylindol-2-yl)-2,5-dihydro-1H-pyridine-2,3,6-tricarboxylate, ...
著者Dotsch, L, Ziegler, S, Waldmann, H, Gasper, R.
登録日2022-07-05
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Identification of a Novel Pseudo-Natural Product Type IV IDO1 Inhibitor Chemotype.
Angew.Chem.Int.Ed.Engl., 61, 2022
1VE3
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BU of 1ve3 by Molmil
Crystal structure of PH0226 protein from Pyrococcus horikoshii OT3
分子名称: S-ADENOSYLMETHIONINE, hypothetical protein PH0226
著者Lokanath, N.K, Yamamoto, H, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2004-03-26
公開日2005-05-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of SAM-dependent methyltransferase from Pyrococcus horikoshii.
Acta Crystallogr.,Sect.F, 73, 2017
6WPW
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BU of 6wpw by Molmil
GCGR-Gs signaling complex bound to a designed glucagon derivative
分子名称: Glucagon derivative ZP3780, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Hilger, D, Krishna Kumar, K, Hu, H, Mathiesen, J.M, Skiniotis, G, Kobilka, B.K.
登録日2020-04-28
公開日2020-08-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into differences in G protein activation by family A and family B GPCRs.
Science, 369, 2020
3S48
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BU of 3s48 by Molmil
Human Alpha-Haemoglobin Complexed with the First NEAT Domain of IsdH from Staphylococcus aureus
分子名称: Hemoglobin subunit alpha, Iron-regulated surface determinant protein H, PROTOPORPHYRIN IX CONTAINING FE
著者Kumar, K.K, Jacques, D.A, Caradoc-Davies, T.T, Guss, J.M, Gell, D.A.
登録日2011-05-19
公開日2012-05-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献The structure of alpha-haemoglobin in complex with a haemoglobin-binding domain from Staphylococcus aureus reveals the elusive alpha-haemoglobin dimerization interface
ACTA CRYSTALLOGR.,SECT.F, 70, 2014
3SZK
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BU of 3szk by Molmil
Crystal Structure of Human metHaemoglobin Complexed with the First NEAT Domain of IsdH from Staphylococcus aureus
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, Iron-regulated surface determinant protein H, ...
著者Jacques, D.A, Kumar, K.K, Guss, J.M, Gell, D.A.
登録日2011-07-19
公開日2011-09-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Structural basis for hemoglobin capture by Staphylococcus aureus cell-surface protein, IsdH
J.Biol.Chem., 286, 2011
4QDM
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BU of 4qdm by Molmil
Crystal structure of N-terminal mutant (V1L) of an alkali thermostable GH10 xylanase from Bacillus sp. NG-27
分子名称: Alkaline thermostable endoxylanase, GLYCEROL, MAGNESIUM ION, ...
著者Mahanta, P, Bhardwaj, A, Reddy, V.S, Ramakumar, S.
登録日2014-05-14
公開日2015-05-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.964 Å)
主引用文献Structural insights into N-terminal to C-terminal interactions and implications for thermostability of a (beta/alpha)8-triosephosphate isomerase barrel enzyme
Febs J., 282, 2015
4QCE
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BU of 4qce by Molmil
Crystal structure of recombinant alkali thermostable GH10 xylanase from Bacillus sp. NG-27
分子名称: Alkaline thermostable endoxylanase, MAGNESIUM ION, SODIUM ION
著者Mahanta, P, Bhardwaj, A, Reddy, V.S, Ramakumar, S.
登録日2014-05-11
公開日2015-05-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural insights into N-terminal to C-terminal interactions and implications for thermostability of a (beta/alpha)8-triosephosphate isomerase barrel enzyme
Febs J., 282, 2015
4QCF
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BU of 4qcf by Molmil
Crystal structure of N-terminal mutant (V1A) of an alkali thermostable GH10 xylanase from Bacillus sp. NG-27
分子名称: Alkaline thermostable endoxylanase, CHLORIDE ION, MAGNESIUM ION, ...
著者Mahanta, P, Bhardwaj, A, Reddy, V.S, Ramakumar, S.
登録日2014-05-11
公開日2015-05-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural insights into N-terminal to C-terminal interactions and implications for thermostability of a (beta/alpha)8-triosephosphate isomerase barrel enzyme
Febs J., 282, 2015
4RVT
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BU of 4rvt by Molmil
MAP4K4 in complex with a pyridin-2(1H)-one derivative
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-hexanoyl-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1H)-one, Mitogen-activated protein kinase kinase kinase kinase 4
著者Richters, A, Becker, C, Kleine, S, Rauh, D.
登録日2014-11-27
公開日2015-05-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Neuritogenic Militarinone-Inspired 4-Hydroxypyridones Target the Stress Pathway Kinase MAP4K4.
Angew.Chem.Int.Ed.Engl., 54, 2015
6OSA
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BU of 6osa by Molmil
human Neurotensin Receptor 1 (hNTSR1) - Gi1 Protein Complex in non-canonical conformation (NC state)
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Kato, H.E, Zhang, Y, Kobilka, B.K, Skiniotis, G.
登録日2019-05-01
公開日2019-07-10
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Conformational transitions of a neurotensin receptor 1-Gi1complex.
Nature, 572, 2019

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