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3MRY
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Crystal Structure of type I ribosome inactivating protein from Momordica balsamina with 6-aminopurine at 2.0A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENINE, GLYCEROL, ...
著者Kushwaha, G.S, Pandey, N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2010-04-29
公開日2010-06-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of type I ribosome inactivating protein from Momordica balsamina with 6-aminopurine at 2.0A resolution
To be Published
5EP6
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BU of 5ep6 by Molmil
The crystal structure of NAP1 in complex with TBK1
分子名称: 5-azacytidine-induced protein 2, GLYCEROL, Serine/threonine-protein kinase TBK1
著者Li, F, Xie, X, Liu, J, Pan, L.
登録日2015-11-11
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Structural insights into the interaction and disease mechanism of neurodegenerative disease-associated optineurin and TBK1 proteins.
Nat Commun, 7, 2016
3MRW
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Crystal Structure of type I ribosome inactivating protein from Momordica balsamina at 1.7 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Kushwaha, G.S, Pandey, N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2010-04-29
公開日2010-06-23
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of type I ribosome inactivating protein from Momordica balsamina at 1.7 A resolution
To be Published
7QSM
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BU of 7qsm by Molmil
Bovine complex I in lipid nanodisc, Deactive-ligand (composite)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Chung, I, Bridges, H.R, Hirst, J.
登録日2022-01-13
公開日2022-05-25
最終更新日2022-09-28
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Cryo-EM structures define ubiquinone-10 binding to mitochondrial complex I and conformational transitions accompanying Q-site occupancy.
Nat Commun, 13, 2022
8FIA
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BU of 8fia by Molmil
The structure of fly Teneurin self assembly
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Bandekar, S.J, Li, J, Arac, D.
登録日2022-12-15
公開日2023-05-03
最終更新日2023-06-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The structure of fly Teneurin-m reveals an asymmetric self-assembly that allows expansion into zippers.
Embo Rep., 24, 2023
8G7F
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BU of 8g7f by Molmil
Crystal Structure of FosB from Bacillus cereus with Zinc and 1-hydroxypropylphosphonic acid
分子名称: FORMIC ACID, GLYCEROL, MAGNESIUM ION, ...
著者Travis, S, Pang, A.H, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K.
登録日2023-02-16
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus.
Rsc Med Chem, 14, 2023
8G7I
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Crystal Structure of FosB from Bacillus cereus with Zinc and Sulfate
分子名称: FORMIC ACID, GLYCEROL, MAGNESIUM ION, ...
著者Travis, S, Pang, A.H, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K.
登録日2023-02-16
公開日2023-06-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus.
Rsc Med Chem, 14, 2023
8R36
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BU of 8r36 by Molmil
Crystal structure of the Gluk1 ligand-binding domain in complex with kainate and BPAM538 at 1.90 A resolution
分子名称: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, 4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide, CHLORIDE ION, ...
著者Bay, Y, Frantsen, S.M, Frydenvang, K, Kastrup, J.S.
登録日2023-11-08
公開日2024-08-14
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the GluK1 ligand-binding domain with kainate and the full-spanning positive allosteric modulator BPAM538.
J.Struct.Biol., 216, 2024
4X0L
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BU of 4x0l by Molmil
Human haptoglobin-haemoglobin complex
分子名称: CACODYLATE ION, GLYCEROL, Haptoglobin, ...
著者Lane-Serff, H, MacGregor, P, Lowe, E.D, Carrington, M, Higgins, M.K.
登録日2014-11-21
公開日2014-12-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for ligand and innate immunity factor uptake by the trypanosome haptoglobin-haemoglobin receptor.
Elife, 3, 2014
5GP7
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BU of 5gp7 by Molmil
Structural basis for the binding between Tankyrase-1 and USP25
分子名称: GLYCEROL, Tankyrase-1, Ubiquitin carboxyl-terminal hydrolase 25
著者Liu, J, Xu, D, Fu, T, Pan, L.
登録日2016-08-01
公開日2017-07-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献USP25 regulates Wnt signaling by controlling the stability of tankyrases
Genes Dev., 31, 2017
2JJQ
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BU of 2jjq by Molmil
The crystal structure of Pyrococcus abyssi tRNA (uracil-54, C5)- methyltransferase in complex with S-adenosyl-L-homocysteine
分子名称: GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, UNCHARACTERIZED RNA METHYLTRANSFERASE PYRAB10780
著者Walbott, H, Leulliot, N, Grosjean, H, Golinelli-Pimpaneau, B.
登録日2008-04-17
公開日2008-08-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Crystal Structure of Pyrococcus Abyssi tRNA (Uracil-54, C5)-Methyltransferase Provides Insights Into its tRNA Specificity.
Nucleic Acids Res., 36, 2008
2JCA
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BU of 2jca by Molmil
Crystal structure of the streptomyces coelicolor holo- [Acyl-carrier-protein] Synthase (AcpS) at 2 A.
分子名称: GLYCEROL, HOLO-[ACYL-CARRIER-PROTEIN] SYNTHASE, SODIUM ION, ...
著者Dall'Aglio, P, Arthur, C, Crump, M.P, Crosby, J, Hadfield, A.T.
登録日2006-12-21
公開日2007-01-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Analysis of Streptomyces Coelicolor Phosphopantetheinyl Transferase, Acps, Reveals the Basis for Relaxed Substrate Specificity.
Biochemistry, 50, 2011
8G0L
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BU of 8g0l by Molmil
Semi-synthetic CoA-alpha-Synuclein Constructs Trap N-terminal Acetyltransferase NatB for Binding Mechanism Studies
分子名称: Alpha-synuclein, CARBOXYMETHYL COENZYME *A, N-alpha-acetyltransferase 20, ...
著者Gardner, S.M, Marmorstein, R.
登録日2023-01-31
公開日2023-05-03
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献Semi-synthetic CoA-alpha-Synuclein Constructs Trap N-terminal Acetyltransferase NatB for Binding Mechanism Studies.
Biorxiv, 2023
6UUP
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BU of 6uup by Molmil
Structure of anti-hCD33 conditional scFv
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-CD33 conditional scFv, DI(HYDROXYETHYL)ETHER, ...
著者Kimberlin, C.R, Park, S.
登録日2019-10-31
公開日2020-11-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.20001864 Å)
主引用文献Direct control of CAR T cells through small molecule-regulated antibodies.
Nat Commun, 12, 2021
7D57
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BU of 7d57 by Molmil
C-Src in complex with FIIN-2
分子名称: N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION
著者Chen, Y.H, Qu, L.Z.
登録日2020-09-25
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
6J5L
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Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 10e
分子名称: High affinity nerve growth factor receptor, N-{2-[({3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indazol-5-yl}amino)methyl]phenyl}methanesulfonamide
著者Kensuke, A, Kazutaka, I.
登録日2019-01-11
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The discovery of novel 3-aryl-indazole derivatives as peripherally restricted pan-Trk inhibitors for the treatment of pain.
Bioorg.Med.Chem.Lett., 29, 2019
7C8J
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BU of 7c8j by Molmil
Structural basis for cross-species recognition of COVID-19 virus spike receptor binding domain to bat ACE2
分子名称: Angiotensin-converting enzyme, SARS-CoV-2 Receptor binding domain, ZINC ION
著者Liu, K.F, Wang, J, Tan, S.G, Niu, S, Wu, L.L, Zhang, Y.F, Pan, X.Q, Meng, Y.M, Chen, Q, Wang, Q.H, Wang, H.W, Qi, J.X, Gao, G.F.
登録日2020-06-01
公開日2021-01-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Cross-species recognition of SARS-CoV-2 to bat ACE2.
Proc.Natl.Acad.Sci.USA, 118, 2021
7C8K
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BU of 7c8k by Molmil
Structural basis for cross-species recognition of COVID-19 virus spike receptor binding domain to bat ACE2
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, Angiotensin-converting enzyme, ...
著者Liu, K.F, Wang, J, Tan, S.G, Niu, S, Wu, L.L, Zhang, Y.F, Pan, X.Q, Meng, Y.M, Chen, Q, Wang, Q.H, Wang, H.W, Qi, J.X, Gao, G.F.
登録日2020-06-02
公開日2021-01-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cross-species recognition of SARS-CoV-2 to bat ACE2.
Proc.Natl.Acad.Sci.USA, 118, 2021
8TWT
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Crystal structure of nitrile synthase AetD with substrate bound and cofactor partially assembled
分子名称: (2S)-2-azanyl-3-[5,7-bis(bromanyl)-1H-indol-3-yl]propanoic acid, AetD, D-MALATE, ...
著者Ye, N, Drennan, C.L.
登録日2023-08-21
公開日2024-08-28
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A single diiron enzyme catalyses the oxidative rearrangement of tryptophan to indole nitrile.
Nat.Chem., 2024
7RSV
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Structure of the VPS34 kinase domain with compound 5
分子名称: (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ...
著者Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
登録日2021-08-11
公開日2021-11-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
4BDY
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PFV intasome with inhibitor XZ-89
分子名称: 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), 2-(3-chloro-4-fluorobenzyl)-4,5-dihydroxy-1H-isoindole-1,3(2H)-dione, ...
著者Hare, S, Cherepanov, P.
登録日2012-10-08
公開日2012-10-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase.
Acs Chem.Biol., 8, 2013
4BE0
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PFV intasome with inhibitor XZ-115
分子名称: 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), 2-(3-chloro-2-fluorobenzyl)-4,5-dihydroxy-1H-isoindole-1,3(2H)-dione, ...
著者Hare, S, Cherepanov, P.
登録日2012-10-08
公開日2012-10-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase.
Acs Chem.Biol., 8, 2013
8I7X
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Crystal structure of human ClpP in complex with ZG36
分子名称: (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial
著者Wang, P.Y, Gan, J.H, Yang, C.-G.
登録日2023-02-02
公開日2023-07-19
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Assessment of the structure-activity relationship and antileukemic activity of diacylpyramide compounds as human ClpP agonists.
Eur.J.Med.Chem., 258, 2023
3IK3
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AP24534, a Pan-BCR-ABL Inhibitor for Chronic Myeloid Leukemia, Potently Inhibits the T315I Mutant and Overcomes Mutation-Based Resistance
分子名称: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Proto-oncogene tyrosine-protein kinase ABL1
著者Zhou, T.
登録日2009-08-05
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献AP24534, a pan-BCR-ABL inhibitor for chronic myeloid leukemia, potently inhibits the T315I mutant and overcomes mutation-based resistance.
Cancer Cell, 16, 2009
4BDZ
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PFV intasome with inhibitor XZ-90
分子名称: 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), 2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-6,7-bis(oxidanyl)isoindol-1-one, ...
著者Hare, S, Cherepanov, P.
登録日2012-10-08
公開日2012-10-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase.
Acs Chem.Biol., 8, 2013

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