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4XX3
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BU of 4xx3 by Molmil
Renin in complex with (S)-1-(3-(benzylcarbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-benzyl-3-{[(2Z,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)tetrahydropyrimidin-1(2H)-yl]methyl}benzamide, Renin
著者Orth, P.
登録日2015-01-29
公開日2015-02-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors.
Bioorg. Med. Chem. Lett., 25, 2015
7C3V
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BU of 7c3v by Molmil
Structure of a thermostable Alcohol dehydrogenase from Kluyveromyces polyspora(KpADH)
分子名称: Alcohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Dai, W, Ni, Y, Xu, G, Liu, Y, Wang, Y, Zhou, J.
登録日2020-05-14
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.20042944 Å)
主引用文献Structure of a thermostable Alcohol dehydrogenase from Kluyveromyces polyspora(KpADH)
To Be Published
4YDV
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BU of 4ydv by Molmil
STRUCTURE OF THE ANTIBODY 7B2 THAT CAPTURES HIV-1 VIRIONS
分子名称: HIV ANTIBODY 7B2 HEAVY CHAIN,IgG H chain, HIV ANTIBODY 7B2 LIGHT CHAIN,Ig kappa chain C region, HIV GP41 PEPTIDE GP41(596-606)
著者Nicely, N.I, Pemble IV, C.W.
登録日2015-02-23
公開日2015-08-12
最終更新日2021-03-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Human Non-neutralizing HIV-1 Envelope Monoclonal Antibodies Limit the Number of Founder Viruses during SHIV Mucosal Infection in Rhesus Macaques.
Plos Pathog., 11, 2015
6Q0X
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BU of 6q0x by Molmil
The cryo-EM structure of the SNX-BAR Mvp1 tetramer
分子名称: Sorting nexin MVP1
著者Sun, D, Ford, M.G.J, Zhang, P.
登録日2019-08-02
公開日2020-04-01
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献The cryo-EM structure of the SNX-BAR Mvp1 tetramer.
Nat Commun, 11, 2020
5H65
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BU of 5h65 by Molmil
Crystal structure of human POT1 and TPP1
分子名称: Adrenocortical dysplasia protein homolog, Protection of telomeres protein 1, ZINC ION
著者Chen, C, Wu, J, Lei, M.
登録日2016-11-10
公開日2017-05-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into POT1-TPP1 interaction and POT1 C-terminal mutations in human cancer.
Nat Commun, 8, 2017
4UVI
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BU of 4uvi by Molmil
Discovery of pyrimidine isoxazoles InhA in complex with compound 23
分子名称: 5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(2-methylpyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S.
登録日2014-08-05
公開日2015-09-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
3N7Z
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BU of 3n7z by Molmil
Crystal structure of acetyltransferase from Bacillus anthracis
分子名称: Acetyltransferase, GNAT family, SODIUM ION
著者Chang, C, Wu, R, Gornicki, P, Zhang, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2010-05-27
公開日2010-06-16
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Biochemical and Structural Analysis of an Eis Family Aminoglycoside Acetyltransferase from Bacillus anthracis.
Biochemistry, 54, 2015
3VGX
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BU of 3vgx by Molmil
Structure of gp41 T21/Cp621-652
分子名称: ACETIC ACID, Envelope glycoprotein gp160, GLYCEROL
著者Yao, X, Waltersperger, S, Wang, M, Cui, S.
登録日2011-08-22
公開日2012-04-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Discovery of critical residues for viral entry and inhibition through structural Insight of HIV-1 fusion inhibitor CP621-652.
J.Biol.Chem., 287, 2012
7FIM
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BU of 7fim by Molmil
Cryo-EM structure of the tirzepatide (LY3298176)-bound human GLP-1R-Gs complex
分子名称: Glucagon-like peptide 1 receptor,Glucagon-like peptide 1 receptor,Glucagon-like peptide 1 receptor,Glucagon-like peptide 1 receptor,human glucagon like peptide 1 receptor, 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, ...
著者Zhao, F.H, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
登録日2021-07-31
公開日2022-03-02
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022
6ORT
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BU of 6ort by Molmil
Crystal Structure of Bos taurus Mxra8 Ectodomain
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Matrix remodeling-associated protein 8
著者Fremont, D.H, Kim, A.S, Nelson, C.A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-04-30
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献An Evolutionary Insertion in the Mxra8 Receptor-Binding Site Confers Resistance to Alphavirus Infection and Pathogenesis.
Cell Host Microbe, 27, 2020
8HIP
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BU of 8hip by Molmil
dsRNA transporter
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Systemic RNA interference defective protein 1, ZINC ION, ...
著者Jiang, D.H, Zhang, J.T.
登録日2022-11-21
公開日2023-11-29
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献Structural insights into double-stranded RNA recognition and transport by SID-1.
Nat.Struct.Mol.Biol., 2024
8HKE
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BU of 8hke by Molmil
dsRNA transporter
分子名称: RNA (37-MER), Systemic RNA interference defective protein 1, ZINC ION
著者Jiang, D.H, Zhang, J.T.
登録日2022-11-25
公開日2023-11-29
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.71 Å)
主引用文献Structural insights into double-stranded RNA recognition and transport by SID-1.
Nat.Struct.Mol.Biol., 2024
2BQ8
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BU of 2bq8 by Molmil
Crystal structure of human purple acid phosphatase with an inhibitory conformation of the repression loop
分子名称: FE (II) ION, SULFATE ION, TARTRATE-RESISTANT ACID PHOSPHATASE TYPE 5, ...
著者Straeter, N, Jasper, B, Krebs, B.
登録日2005-04-27
公開日2005-10-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structures of Recombinant Human Purple Acid Phosphatase with and without an Inhibitory Conformation of the Repression Loop.
J.Mol.Biol., 351, 2005
5KX8
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BU of 5kx8 by Molmil
Irak4-inhibitor co-structure
分子名称: Interleukin-1 receptor-associated kinase 4, ~{N}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-5-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide
著者Fischmann, T.O.
登録日2016-07-20
公開日2016-08-17
最終更新日2016-08-24
実験手法X-RAY DIFFRACTION (2.671 Å)
主引用文献Efforts towards the optimization of a bi-aryl class of potent IRAK4 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5KX7
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BU of 5kx7 by Molmil
Irak4-inhibitor co-structure
分子名称: Interleukin-1 receptor-associated kinase 4, ~{N}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
著者Fischmann, T.O.
登録日2016-07-20
公開日2016-08-17
最終更新日2016-08-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Efforts towards the optimization of a bi-aryl class of potent IRAK4 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5GNV
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BU of 5gnv by Molmil
Structure of PSD-95/MAP1A complex reveals unique target recognition mode of MAGUK GK domain
分子名称: Disks large homolog 4, Microtubule-associated protein 1A, SULFATE ION
著者Shang, Y, Xia, Y, Zhu, R, Zhu, J.
登録日2016-07-25
公開日2017-08-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.596 Å)
主引用文献Structure of the PSD-95/MAP1A complex reveals a unique target recognition mode of the MAGUK GK domain
Biochem. J., 474, 2017
4X3V
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BU of 4x3v by Molmil
Crystal structure of human ribonucleotide reductase 1 bound to inhibitor
分子名称: N~6~-{N-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2-methyl-D-alanyl}-D-lysine, Ribonucleoside-diphosphate reductase large subunit, THYMIDINE-5'-TRIPHOSPHATE
著者Dealwis, C.G, Ahmad, M.F, Alam, I.
登録日2014-12-01
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Identification of Non-nucleoside Human Ribonucleotide Reductase Modulators.
J.Med.Chem., 58, 2015
2PIY
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BU of 2piy by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B (S)-2-(3-Aminomethyl-phenyl)-3-{hydroxy-[(R)-2-methyl-1-(3-phenyl-propane-1-sulfonylamino)-propyl]-phosphinoyl}-propionic acid {ZK 528} COMPLEX
分子名称: (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(R)-HYDROXY[(1R)-2-METHYL-1-{[(3-PHENYLPROPYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID, Carboxypeptidase B, ZINC ION
著者Adler, M, Whitlow, M.
登録日2007-04-15
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
5JY3
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CRYSTAL STRUCTURE OF LXRbeta (NUCLEAR RECEPTOR SUBFAMILY 1, GROUP H, MEMBER 2) COMPLEXED WITH BMS-852927
分子名称: 1,4-BUTANEDIOL, 2-[2-[2-[2,6-bis(chloranyl)phenyl]propan-2-yl]-1-[2-fluoranyl-4-[3-fluoranyl-4-(hydroxymethyl)-5-methylsulfonyl-phenyl] phenyl]imidazol-4-yl]propan-2-ol, Oxysterols receptor LXR-beta
著者Muckelbauer, J.K.
登録日2016-05-13
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of Highly Potent Liver X Receptor beta Agonists.
ACS Med Chem Lett, 7, 2016
5YPR
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BU of 5ypr by Molmil
Crystal Structure of PSD-95 SH3-GK domain in complex with a synthesized inhibitor
分子名称: Disks large homolog 4, Synthesized GK inhibitor
著者Zhu, J, Zhou, Q, Shang, Y, Weng, Z, Zhu, R, Zhang, M.
登録日2017-11-02
公開日2018-03-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.349 Å)
主引用文献Synaptic Targeting and Function of SAPAPs Mediated by Phosphorylation-Dependent Binding to PSD-95 MAGUKs.
Cell Rep, 21, 2017
5KX9
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Selective Small Molecule Inhibition of the FMN Riboswitch
分子名称: (6P)-2-{(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl}-6-(thiophen-2-yl)pyrimidin-4-ol, FMN Riboswitch, MAGNESIUM ION, ...
著者Fischmann, T.O.
登録日2016-07-20
公開日2016-08-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Atomic resolution mechanistic studies of ribocil: A highly selective unnatural ligand mimic of the E. coli FMN riboswitch.
Rna Biol., 13, 2016
5B64
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A novel binding mode of MAGUK GK domain revealed by DLG GK domain in complex with KIF13B MBS domain
分子名称: DLG GK, GLYCEROL, Protein Kif13b, ...
著者Shang, Y, Zhu, J, Zhang, M.
登録日2016-05-24
公開日2016-10-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献An Atypical MAGUK GK Target Recognition Mode Revealed by the Interaction between DLG and KIF13B
Structure, 24, 2016
2PJ4
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B [((R)-Benzyloxycarbonylamino-cyclohexyl-methyl)-hydroxy-phosphinoyloxy]-(3-guanidino-phenyl)-acetic acid COMPLEX
分子名称: (5R,6R,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-5-CYCLOHEXYL-6-HYDROXY-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE, Carboxypeptidase B, ZINC ION
著者Adler, M, Whitlow, M.
登録日2007-04-15
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ9
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Aminomethyl-phenyl)-3-{[(R)-1-(benzo[1,2,5]thiadiazole-4-sulfonylamino)-2-methyl-propyl]-hydroxy-phosphinoyl}-propionic acid COMPLEX
分子名称: (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(S)-{(1R)-1-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID, Carboxypeptidase B, ZINC ION
著者Adler, M, Whitlow, M.
登録日2007-04-15
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ0
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B [((R)-1-Benzyloxycarbonylamino-2-methyl-propyl)-hydroxy-phosphinoyloxy]-(3-guanidino-phenyl)-acetic acid COMPLEX
分子名称: (5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE, Carboxypeptidase B, ZINC ION
著者Adler, M, Whitlow, M.
登録日2007-04-15
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008

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