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3BSC
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BU of 3bsc by Molmil
Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone Inhibitor
Descriptor: 5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one, RNA-directed RNA polymerase
Authors:Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R.
Deposit date:2007-12-23
Release date:2008-12-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine.
Bioorg.Med.Chem.Lett., 18, 2008
4YZU
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BU of 4yzu by Molmil
Rapid development of two Factor IXa inhibitors from Hit to Lead
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Coagulation factor IX, ...
Authors:Hruza, A, Reichert, P.
Deposit date:2015-03-25
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Rapid development of two factor IXa inhibitors from hit to lead.
Bioorg.Med.Chem.Lett., 25, 2015
4Z0K
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BU of 4z0k by Molmil
Rapid development of two Factor IXa inhibitors from Hit to Lead
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Coagulation factor IX, ...
Authors:Hruza, A, Reichert, P.
Deposit date:2015-03-26
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Rapid development of two factor IXa inhibitors from hit to lead.
Bioorg.Med.Chem.Lett., 25, 2015
6WMW
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BU of 6wmw by Molmil
GFRAL receptor bound with two antibody Fabs (3P10, 25M22)
Descriptor: FAB25M22 heavy chain fragment, FAB25M22 light chain, FAB3P10 heavy chain fragment, ...
Authors:White, A, Lakshminarasimhan, D, Olland, A, Suto, R.K.
Deposit date:2020-04-21
Release date:2020-07-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Antibody-mediated inhibition of GDF15-GFRAL activity reverses cancer cachexia in mice.
Nat Med, 26, 2020
5ZBH
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BU of 5zbh by Molmil
The Crystal Structure of Human Neuropeptide Y Y1 Receptor with BMS-193885
Descriptor: Neuropeptide Y receptor type 1,T4 Lysozyme,Neuropeptide Y receptor type 1, dimethyl 4-{3-[({3-[4-(3-methoxyphenyl)piperidin-1-yl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Authors:Yang, Z, Han, S, Zhao, Q, Wu, B.
Deposit date:2018-02-11
Release date:2018-04-25
Last modified:2018-05-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of ligand binding modes at the neuropeptide Y Y1receptor
Nature, 556, 2018
5ZBQ
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BU of 5zbq by Molmil
The Crystal Structure of human neuropeptide Y Y1 receptor with UR-MK299
Descriptor: Neuropeptide Y receptor type 1,T4 Lysozyme, N~2~-(diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]-N~5~-(N'-{[2-(propanoylamino)ethyl]carbamoyl}carbamimidoyl)-D-ornithinamide
Authors:Yang, Z, Han, S, Zhao, Q, Wu, B.
Deposit date:2018-02-12
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of ligand binding modes at the neuropeptide Y Y1receptor
Nature, 556, 2018
2M9H
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BU of 2m9h by Molmil
DNA-binding domain of T. brucei telomeric protein tbTRF
Descriptor: TTAGGG binding factor
Authors:Li, X, Ye, F, Zhang, M, Zhao, Y.
Deposit date:2013-06-09
Release date:2014-07-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Suppression of subtelomeric VSG switching by Trypanosoma brucei TRF requires its TTAGGG repeat-binding activity.
Nucleic Acids Res., 42, 2014
3PDV
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BU of 3pdv by Molmil
Structure of the PDlim2 PDZ domain in complex with the C-terminal 6-peptide extension of NS1
Descriptor: PDZ and LIM domain protein 2, C-teminal peptide from Nonstructural protein 1, SODIUM ION
Authors:Li, X.
Deposit date:2010-10-25
Release date:2011-09-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:PDlim2 selectively interacts with the PDZ binding motif of highly pathogenic avian H5N1 influenza A virus NS1
Plos One, 6, 2011
1T1K
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BU of 1t1k by Molmil
NMR STRUCTURE OF HUMAN INSULIN MUTANT HIS-B10-ASP, VAL-B12-ALA, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES
Descriptor: Insulin
Authors:Huang, K, Xu, B, Hu, S.Q, Chu, Y.C, Hua, Q.X, Whittaker, J, Nakagawa, S.H, De Meyts, P, Katsoyannis, P.G, Weiss, M.A.
Deposit date:2004-04-16
Release date:2004-08-10
Last modified:2021-10-27
Method:SOLUTION NMR
Cite:How Insulin Binds: the B-Chain alpha-Helix Contacts the L1 beta-Helix of the Insulin Receptor.
J.Mol.Biol., 341, 2004
4H88
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BU of 4h88 by Molmil
Structure of POM1 FAB fragment complexed with mouse PrPc Fragment 120-230
Descriptor: Major prion protein, POM1 FAB CHAIN H, POM1 FAB CHAIN L, ...
Authors:Baral, P.K, Wieland, B, Swayampakula, M, James, M.N.
Deposit date:2012-09-21
Release date:2013-07-31
Last modified:2013-09-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The toxicity of antiprion antibodies is mediated by the flexible tail of the prion protein.
Nature, 501, 2013
1T1P
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BU of 1t1p by Molmil
NMR STRUCTURE OF HUMAN INSULIN MUTANT HIS-B10-ASP, VAL-B12-THR, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES
Descriptor: Insulin, insulin
Authors:Huang, K, Xu, B, Hu, S.Q, Chu, Y.C, Hua, Q.X, Whittaker, J, Nakagawa, S.H, De Meyts, P, Katsoyannis, P.G, Weiss, M.A.
Deposit date:2004-04-16
Release date:2004-08-10
Last modified:2021-10-27
Method:SOLUTION NMR
Cite:How Insulin Binds: the B-Chain alpha-Helix Contacts the L1 beta-Helix of the Insulin Receptor.
J.Mol.Biol., 341, 2004
1T1Q
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BU of 1t1q by Molmil
NMR STRUCTURE OF HUMAN INSULIN MUTANT HIS-B10-ASP, VAL-B12-ABA, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES
Descriptor: Insulin, insulin
Authors:Huang, K, Xu, B, Hu, S.Q, Chu, Y.C, Hua, Q.X, Whittaker, J, Nakagawa, S.H, De Meyts, P, Katsoyannis, P.G, Weiss, M.A.
Deposit date:2004-04-16
Release date:2004-08-10
Last modified:2021-10-27
Method:SOLUTION NMR
Cite:How Insulin Binds: the B-Chain alpha-Helix Contacts the L1 beta-Helix of the Insulin Receptor.
J.Mol.Biol., 341, 2004
6CKC
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BU of 6ckc by Molmil
Structure of PRMT5:MEP50 in complex with LLY-283, a potent and selective inhibitor of PRMT5, with antitumor activity
Descriptor: 7-[(5R)-5-C-phenyl-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:Antonysamy, S.
Deposit date:2018-02-27
Release date:2018-05-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:LLY-283, a Potent and Selective Inhibitor of Arginine Methyltransferase 5, PRMT5, with Antitumor Activity.
ACS Med Chem Lett, 9, 2018
4I1L
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BU of 4i1l by Molmil
Structural and Biological Features of FOXP3 Dimerization Relevant to Regulatory T Cell Function
Descriptor: ACETATE ION, Forkhead box protein P3, MAGNESIUM ION, ...
Authors:Song, X.M, Greene, M.I, Zhou, Z.C.
Deposit date:2012-11-21
Release date:2012-12-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and biological features of FOXP3 dimerization relevant to regulatory T cell function.
Cell Rep, 1, 2012
7LJ5
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BU of 7lj5 by Molmil
Human TRAAK K+ channel FHIEG mutant A198E in a K+ bound conductive conformation
Descriptor: ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT HEAVY CHAIN, ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT LIGHT CHAIN, CALCIUM ION, ...
Authors:Rietmeijer, R.A, Brohawn, S.G.
Deposit date:2021-01-28
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Physical basis for distinct basal and mechanically gated activity of the human K + channel TRAAK.
Neuron, 109, 2021
7LJ4
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BU of 7lj4 by Molmil
Human TRAAK K+ channel FHEIG mutant A270P in a K+ bound conductive conformation
Descriptor: ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT HEAVY CHAIN, ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT LIGHT CHAIN, CALCIUM ION, ...
Authors:Rietmeijer, R.A, Brohawn, S.G.
Deposit date:2021-01-28
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.782 Å)
Cite:Physical basis for distinct basal and mechanically gated activity of the human K + channel TRAAK.
Neuron, 109, 2021
7LJA
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BU of 7lja by Molmil
Human TRAAK K+ channel FHEIG mutant A198E in a Tl+ bound conductive conformation
Descriptor: ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT HEAVY CHAIN, ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT LIGHT CHAIN, CALCIUM ION, ...
Authors:Rietmeijer, R.A, Brohawn, S.G.
Deposit date:2021-01-28
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Physical basis for distinct basal and mechanically gated activity of the human K + channel TRAAK.
Neuron, 109, 2021
3DKK
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BU of 3dkk by Molmil
Aged Form of Human Butyrylcholinesterase Inhibited by Tabun
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Nachon, F, Carletti, E.
Deposit date:2008-06-25
Release date:2008-12-02
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation.
J.Am.Chem.Soc., 130, 2008
3DJY
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BU of 3djy by Molmil
Nonaged Form of Human Butyrylcholinesterase Inhibited by Tabun
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Carletti, E, Nachon, F.
Deposit date:2008-06-24
Release date:2008-12-02
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation.
J.Am.Chem.Soc., 130, 2008
5JNN
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BU of 5jnn by Molmil
Crystal structure of abscisic acid receptor PYL2 in complex with Phaseic acid.
Descriptor: (3S,4E)-5-[(1R,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpent-4-enoic acid, Abscisic acid receptor PYL2
Authors:Weng, J.K, Noel, J.P.
Deposit date:2016-04-30
Release date:2016-08-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Co-evolution of Hormone Metabolism and Signaling Networks Expands Plant Adaptive Plasticity.
Cell, 166, 2016
6BCS
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BU of 6bcs by Molmil
LilrB2 D1D2 domains complexed with benzamidine
Descriptor: BENZAMIDINE, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Cao, Q, Sawaya, M.R, Eisenberg, D.S.
Deposit date:2017-10-20
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibiting amyloid-beta cytotoxicity through its interaction with the cell surface receptor LilrB2 by structure-based design.
Nat Chem, 10, 2018
7CJF
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BU of 7cjf by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ...
Authors:Guo, Y, Li, X, Zhang, G, Fu, D, Schweizer, L, Zhang, H, Rao, Z.
Deposit date:2020-07-10
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.108 Å)
Cite:A SARS-CoV-2 neutralizing antibody with extensive Spike binding coverage and modified for optimal therapeutic outcomes.
Nat Commun, 12, 2021
4GGD
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BU of 4ggd by Molmil
Structural analysis of human Cdc20 supports multisite degron recognition by APC/C.
Descriptor: Cell division cycle protein 20 homolog, Mitotic checkpoint serine/threonine-protein kinase BUB1 beta
Authors:Luo, X, Tian, W, Tomchick, D.R.
Deposit date:2012-08-06
Release date:2012-11-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.435 Å)
Cite:Structural analysis of human Cdc20 supports multisite degron recognition by APC/C.
Proc.Natl.Acad.Sci.USA, 109, 2012
4GGA
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BU of 4gga by Molmil
Structural Analysis of Human Cdc20 Supports Multi-site Degron Recognition by APC/C
Descriptor: Cell division cycle protein 20 homolog
Authors:Luo, X, Tian, W, Tomchick, D.R.
Deposit date:2012-08-06
Release date:2012-11-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.044 Å)
Cite:Structural analysis of human Cdc20 supports multisite degron recognition by APC/C.
Proc.Natl.Acad.Sci.USA, 109, 2012
4GGC
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BU of 4ggc by Molmil
Structural Analysis of Human Cdc20 Supports Multi-site Degron Recognition by APC/C
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Cell division cycle protein 20 homolog
Authors:Luo, X, Tian, W, Tomchick, D.R.
Deposit date:2012-08-06
Release date:2012-11-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural analysis of human Cdc20 supports multisite degron recognition by APC/C.
Proc.Natl.Acad.Sci.USA, 109, 2012

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