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7M1Z
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Targeting Enterococcus faecalis HMG-CoA reductase with a novel non-statin inhibitor
分子名称: (R)-MEVALONATE, 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, ACETATE ION, ...
著者Bose, S, Steussy, C.N, Stauffacher, C.V.
登録日2021-03-15
公開日2022-09-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Targeting Enterococcus faecalis HMG-CoA reductase with a non-statin inhibitor
Nat Commun, 2023
7LE2
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BU of 7le2 by Molmil
HIV-1 Protease WT (NL4-3) in Complex with UMass4
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2021-01-14
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.971 Å)
主引用文献HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LE1
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BU of 7le1 by Molmil
HIV-1 Protease WT (NL4-3) in Complex with UMass2
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2021-01-14
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
6DR7
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BU of 6dr7 by Molmil
YopH PTP1B WPD loop Chimera 2 PTPase bound to vanadate
分子名称: ACETATE ION, Targeted effector protein, VANADATE ION
著者Moise, G, Morales, Y, Johnson, S.J, Hengge, A.C.
登録日2018-06-11
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献A YopH PTP1B Chimera Shows the Importance of the WPD-Loop Sequence to the Activity, Structure, and Dynamics of Protein Tyrosine Phosphatases.
Biochemistry, 57, 2018
8RH0
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BU of 8rh0 by Molmil
Trimeric HSV-1F gB ectodomain in postfusion conformation with three bound HDIT102 Fab molecules.
分子名称: Envelope glycoprotein B, HDIT102 Fab heavy chain
著者Kalbermatter, D, Seyfizadeh, N, Imhof, T, Ries, M, Mueller, C, Jenner, L, Blumenschein, E, Yendrzheyevskiy, A, Moog, K, Eckert, D, Engel, R, Diebolder, P, Chami, M, Krauss, J, Schaller, T, Arndt, M.
登録日2023-12-14
公開日2024-06-19
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Development of a highly effective combination monoclonal antibody therapy against Herpes simplex virus.
J.Biomed.Sci., 31, 2024
7LDZ
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BU of 7ldz by Molmil
HIV-1 Protease WT (NL4-3) in Complex with GRL-98065
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, Protease, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2021-01-14
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.861 Å)
主引用文献HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LRK
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BU of 7lrk by Molmil
Crystal structure of BPTF bromodomain in complex with inhibitor Pdy-3-093
分子名称: 1,2-ETHANEDIOL, 4-chloranyl-2-methyl-5-[[(3~{S})-pyrrolidin-3-yl]amino]pyridazin-3-one, Nucleosome-remodeling factor subunit BPTF
著者Chan, A, Schonbrunn, E.
登録日2021-02-16
公開日2022-08-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
6QP7
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BU of 6qp7 by Molmil
Drosophila Semaphorin 2a
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Robinson, R.A, Rozbesky, D, Harlos, K, Siebold, C, Jones, E.Y.
登録日2019-02-13
公開日2019-08-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Diversity of oligomerization in Drosophila semaphorins suggests a mechanism of functional fine-tuning.
Nat Commun, 10, 2019
7LRO
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BU of 7lro by Molmil
Crystal structure of BPTF bromodomain in complex with inhibitor HZ-01-105
分子名称: 1,2-ETHANEDIOL, 5-(azetidin-3-ylamino)-4-chloranyl-2-methyl-pyridazin-3-one, DIMETHYL SULFOXIDE, ...
著者Chan, A, Schonbrunn, E.
登録日2021-02-17
公開日2022-08-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
2YC3
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BU of 2yc3 by Molmil
Inhibitors of the herbicidal target IspD
分子名称: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 6-benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one, ...
著者Hoeffken, H.W.
登録日2011-03-11
公開日2011-08-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding.
Angew.Chem.Int.Ed.Engl., 50, 2011
1MX4
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BU of 1mx4 by Molmil
Structure of p18INK4c (F82Q)
分子名称: Cyclin-dependent kinase 6 inhibitor
著者Marmorstein, R, Venkataramani, R.N, MacLachlan, T.K, Chai, X, El-Deiry, W.S.
登録日2002-10-01
公開日2002-10-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of p18INK4c proteins with increased thermodynamic stability and cell cycle inhibitory activity
J.Biol.Chem., 277, 2002
7LPK
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BU of 7lpk by Molmil
Crystal structure of BPTF bromodomain in complex with inhibitor HZ-03-112
分子名称: 1,2-ETHANEDIOL, 4-chloranyl-2-methyl-5-[[(3~{R})-pyrrolidin-3-yl]amino]pyridazin-3-one, Nucleosome-remodeling factor subunit BPTF
著者Chan, A, Schonbrunn, E.
登録日2021-02-12
公開日2022-08-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
2YHA
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BU of 2yha by Molmil
Crystal Structure of the N. crassa QDE-2 AGO MID-PIWI Domains
分子名称: GLYCEROL, POST-TRANSCRIPTIONAL GENE SILENCING PROTEIN QDE-2, SULFATE ION
著者Boland, A, Weichenrieder, O.
登録日2011-04-27
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of the Mid-Piwi Lobe of a Eukaryotic Argonaute Protein
Proc.Natl.Acad.Sci.USA, 108, 2011
1MZO
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BU of 1mzo by Molmil
Crystal structure of pyruvate formate-lyase with pyruvate
分子名称: PYRUVIC ACID, Pyruvate formate-lyase, TRIETHYLENE GLYCOL
著者Lehtio, L, Leppanen, V.-M, Kozarich, J.W, Goldman, A.
登録日2002-10-09
公開日2002-12-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of Escherichia coli pyruvate formate-lyase with pyruvate.
Acta Crystallogr.,Sect.D, 58, 2002
1N17
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BU of 1n17 by Molmil
Structure and Dynamics of Thioguanine-modified Duplex DNA
分子名称: 5'-D(*GP*CP*TP*AP*AP*GP*(S6G)P*AP*AP*AP*GP*CP*C)-3', 5'-D(*GP*GP*CP*TP*TP*TP*CP*CP*TP*TP*AP*GP*C)-3'
著者Somerville, L, Krynetski, E.Y, Krynetskaia, N.F, Beger, R.D, Zhang, W, Marhefka, C.A, Evans, W.E, Kriwacki, R.W.
登録日2002-10-16
公開日2002-10-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure and dynamics of thioguanine-modified duplex DNA
J.Biol.Chem., 278, 2003
2Y6E
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BU of 2y6e by Molmil
Structure of the D1D2 domain of USP4, the conserved catalytic domain
分子名称: SULFATE ION, UBIQUITIN CARBOXYL-TERMINAL HYDROLASE 4, ZINC ION
著者Luna-Vargas, M.P.A, Faesen, A.C, van Dijk, W.J, Rape, M, Fish, A, Sixma, T.K.
登録日2011-01-20
公開日2011-04-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Dusp-Ubl Domain of Usp4 Enhances its Catalytic Efficiency by Promoting Ubiquitin Exchange.
Nat.Commun., 5, 2014
1N4M
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BU of 1n4m by Molmil
Structure of Rb tumor suppressor bound to the transactivation domain of E2F-2
分子名称: Retinoblastoma Pocket, Transcription factor E2F2
著者Lee, C, Chang, J.H, Lee, H.S, Cho, Y.
登録日2002-10-31
公開日2003-01-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the recognition of the E2F transactivation domain by the retinoblastoma tumor suppressor
GENES DEV., 16, 2002
6DLF
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BU of 6dlf by Molmil
Crystal structure of NTRI homodimer
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, Neurotrimin
著者Ranaivoson, F.M, Turk, L.S, Ozkan, E, Montelione, G.T, Comoletti, D.
登録日2018-06-01
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.446 Å)
主引用文献Structure of a heterodimer of neuronal cell surface proteins
Structure, 2019
1MR5
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BU of 1mr5 by Molmil
Orthorhombic form of Trypanosoma cruzi trans-sialidase
分子名称: trans-sialidase
著者Buschiazzo, A, Amaya, M.F, Cremona, M.L, Frasch, A.C, Alzari, P.M.
登録日2002-09-18
公開日2003-03-18
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The crystal structure and mode of action of trans-sialidase, a key enzyme in Trypanosoma cruzi pathogenesis
Mol.Cell, 10, 2002
4FJ5
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BU of 4fj5 by Molmil
RB69 DNA polymerase ternary complex with dATP/dT
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ...
著者Xia, S, Wang, J, Konigsberg, W.H.
登録日2012-06-11
公開日2012-12-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献DNA mismatch synthesis complexes provide insights into base selectivity of a B family DNA polymerase.
J.Am.Chem.Soc., 135, 2013
1MRX
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BU of 1mrx by Molmil
Structure of HIV protease (Mutant Q7K L33I L63I V82F I84V ) complexed with KNI-577
分子名称: (4R)-N-tert-butyl-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazoli dine-4-carboxamide, POL polyprotein
著者Vega, S, Kang, L.-W, Velazquez-Campoy, A, Kiso, Y, Amzel, L.M, Freire, E.
登録日2002-09-18
公開日2003-11-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A structural and thermodynamic escape mechanism from a drug resistant mutation of the HIV-1 protease.
Proteins, 55, 2004
4FJM
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BU of 4fjm by Molmil
RB69 DNA polymerase ternary complex with dCTP/dA
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ...
著者Xia, S, Wang, J, Konigsberg, W.H.
登録日2012-06-11
公開日2012-12-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献DNA mismatch synthesis complexes provide insights into base selectivity of a B family DNA polymerase.
J.Am.Chem.Soc., 135, 2013
1MS8
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BU of 1ms8 by Molmil
Triclinic form of Trypanosoma cruzi trans-sialidase, in complex with 3-deoxy-2,3-dehydro-N-acetylneuraminic acid (DANA)
分子名称: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, trans-sialidase
著者Buschiazzo, A, Amaya, M.F, Cremona, M.L, Frasch, A.C, Alzari, P.M.
登録日2002-09-19
公開日2003-03-25
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure and mode of action of trans-sialidase, a key enzyme in Trypanosoma cruzi pathogenesis
Mol.Cell, 10, 2002
4FJK
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BU of 4fjk by Molmil
RB69 DNA polymerase ternary complex with dATP/dA
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase, ...
著者Xia, S, Wang, J, Konigsberg, W.H.
登録日2012-06-11
公開日2012-12-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献DNA mismatch synthesis complexes provide insights into base selectivity of a B family DNA polymerase.
J.Am.Chem.Soc., 135, 2013
6D8D
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BU of 6d8d by Molmil
The crystal structure of hemagglutinin from A/Hong Kong/125/2017 influenza virus in complex with LSTb
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ...
著者Yang, H, Stevens, J.
登録日2018-04-26
公開日2018-05-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.55 Å)
主引用文献Structural and Molecular Characterization of the Hemagglutinin from the Fifth-Epidemic-Wave A(H7N9) Influenza Viruses.
J. Virol., 92, 2018

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