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PDB: 42391 results

4ZNN
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BU of 4znn by Molmil
MicroED structure of the segment, GVVHGVTTVA, from the A53T familial mutant of Parkinson's disease protein, alpha-synuclein residues 47-56
Descriptor: Alpha-synuclein
Authors:Rodriguez, J.A, Ivanova, M, Sawaya, M.R, Cascio, D, Reyes, F, Shi, D, Johnson, L, Guenther, E, Sangwan, S, Hattne, J, Nannenga, B, Brewster, A.S, Messerschmidt, M, Boutet, S, Sauter, N.K, Gonen, T, Eisenberg, D.S.
Deposit date:2015-05-05
Release date:2015-09-09
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1.41 Å)
Cite:Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
6U2H
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BU of 6u2h by Molmil
BRAF dimer bound to 14-3-3
Descriptor: 14-3-3 protein zeta/delta, 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, Serine/threonine-protein kinase B-raf
Authors:Liau, N.P.D, Hymowitz, S.G, Sudhamsu, J.
Deposit date:2019-08-19
Release date:2019-08-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Negative regulation of RAF kinase activity by ATP is overcome by 14-3-3-induced dimerization.
Nat.Struct.Mol.Biol., 27, 2020
3G9R
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BU of 3g9r by Molmil
Structure of the HIV-1 gp41 Membrane-Proximal Ectodomain Region in a Putative Prefusion Conformation
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Fusion complex of HIV-1 Envelope glycoprotein and Saccharomyces cerevisiae General control protein GCN4, PHOSPHATE ION
Authors:Liu, J, Lu, M.
Deposit date:2009-02-13
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the HIV-1 gp41 Membrane-Proximal Ectodomain Region in a Putative Prefusion Conformation.
Biochemistry, 48, 2009
6LT4
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BU of 6lt4 by Molmil
AAA+ ATPase, ClpL from Streptococcus pneumoniae: ATPrS-bound
Descriptor: ATP-dependent Clp protease, ATP-binding subunit, MAGNESIUM ION, ...
Authors:Kim, G, Lee, S.G, Han, S, Jung, J, Jeong, H.S, Hyun, J.K, Rhee, D.K, Kim, H.M, Lee, S.
Deposit date:2020-01-21
Release date:2021-01-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:ClpL is a functionally active tetradecameric AAA+ chaperone, distinct from hexameric/dodecameric ones.
Faseb J., 34, 2020
6LMS
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BU of 6lms by Molmil
Solution NMR structure cold shock domain of YB1 from Homo sapiens
Descriptor: Y-box-binding protein 1
Authors:Li, S, Zhang, J, Yang, Y.
Deposit date:2019-12-26
Release date:2020-07-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis of DNA binding to human YB-1 cold shock domain regulated by phosphorylation.
Nucleic Acids Res., 48, 2020
3TDN
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BU of 3tdn by Molmil
Computationally designed two-fold symmetric Tim-barrel protein, FLR
Descriptor: FLR SYMMETRIC ALPHA-BETA TIM BARREL
Authors:Harp, J.M, Fortenberry, C, Bowman, E, Profitt, W, Dorr, B, Mizoue, L, Meiler, J.
Deposit date:2011-08-11
Release date:2011-11-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Exploring symmetry as an avenue to the computational design of large protein domains.
J.Am.Chem.Soc., 133, 2011
6U2G
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BU of 6u2g by Molmil
BRAF-MEK complex with AMP-PCP bound to BRAF
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Liau, N.P.D, Wendorff, T, Hymowitz, S, Sudhamsu, J.
Deposit date:2019-08-19
Release date:2019-08-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.886 Å)
Cite:Negative regulation of RAF kinase activity by ATP is overcome by 14-3-3-induced dimerization.
Nat.Struct.Mol.Biol., 27, 2020
2Q19
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BU of 2q19 by Molmil
2-keto-3-deoxy-D-arabinonate dehydratase apo form
Descriptor: 2-keto-3-deoxy-D-arabinonate dehydratase
Authors:Barends, T, Brouns, S, Worm, P, Akerboom, J, Turnbull, A, Salmon, L.
Deposit date:2007-05-24
Release date:2008-04-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insight into substrate binding and catalysis of a novel 2-keto-3-deoxy-D-arabinonate dehydratase illustrates common mechanistic features of the FAH superfamily.
J.Mol.Biol., 379, 2008
2Q1C
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BU of 2q1c by Molmil
2-keto-3-deoxy-D-arabinonate dehydratase complexed with calcium and 2-oxobutyrate
Descriptor: 2-KETOBUTYRIC ACID, 2-keto-3-deoxy-D-arabinonate dehydratase, CALCIUM ION
Authors:Barends, T, Brouns, S, Worm, P, Akerboom, J, Turnbull, A, Salmon, L.
Deposit date:2007-05-24
Release date:2008-04-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insight into substrate binding and catalysis of a novel 2-keto-3-deoxy-D-arabinonate dehydratase illustrates common mechanistic features of the FAH superfamily.
J.Mol.Biol., 379, 2008
6LXK
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BU of 6lxk by Molmil
Crystal structure of Z2B3 D102R Fab in complex with influenza virus neuraminidase from A/Serbia/NS-601/2014 (H1N1)
Descriptor: CALCIUM ION, Heavy chain of Z2B3-D102R Fab, Light chain of Z2B3-D102R Fab, ...
Authors:Jiang, H, Peng, W, Qi, J, Chai, Y, Song, H, Shi, Y, Gao, G.F, Wu, Y.
Deposit date:2020-02-11
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.608 Å)
Cite:Structure-Based Modification of an Anti-neuraminidase Human Antibody Restores Protection Efficacy against the Drifted Influenza Virus.
Mbio, 11, 2020
6U4J
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BU of 6u4j by Molmil
Crystal structure of IDH1 R132H mutant in complex with FT-2102
Descriptor: 5-{[(1S)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile, CHLORIDE ION, CITRATE ANION, ...
Authors:Toms, A.V, Lin, J.
Deposit date:2019-08-25
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structure-Based Design and Identification of FT-2102 (Olutasidenib), a Potent Mutant-Selective IDH1 Inhibitor.
J.Med.Chem., 63, 2020
2PMC
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BU of 2pmc by Molmil
Crystal Structure of CheY-Mg(2+) in Complex with CheZ(C15) Peptide solved from a P1 Crystal
Descriptor: Chemotaxis protein cheY, Chemotaxis protein cheZ, MAGNESIUM ION
Authors:Guhaniyogi, J, Stock, A.M.
Deposit date:2007-04-20
Release date:2008-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.688 Å)
Cite:Interaction of CheY with the C-terminal peptide of CheZ.
J.Bacteriol., 190, 2008
2PMO
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BU of 2pmo by Molmil
Crystal structure of PfPK7 in complex with hymenialdisine
Descriptor: 4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-BROMO-4,5,6,7-TETRAHYDRO-3AH-PYRROLO[2,3-C]AZEPIN-8-ONE, Ser/Thr protein kinase
Authors:Merckx, A, Echalier, A, Noble, M, Endicott, J.
Deposit date:2007-04-23
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of P. falciparum protein kinase 7 identify an activation motif and leads for inhibitor design.
Structure, 16, 2008
3TKK
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BU of 3tkk by Molmil
Crystal Structure Analysis of a recombinant predicted acetamidase/ formamidase from the thermophile thermoanaerobacter tengcongensis
Descriptor: CALCIUM ION, Predicted acetamidase/formamidase, ZINC ION
Authors:Qian, M, Huang, Q, Wu, G, Lai, L, Tang, Y, Pei, J, Kusunoki, M.
Deposit date:2011-08-26
Release date:2011-11-16
Last modified:2012-02-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structure Analysis of a Recombinant Predicted Acetamidase/Formamidase from the Thermophile Thermoanaerobacter tengcongensis.
PROTEIN J., 31, 2012
2PVV
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BU of 2pvv by Molmil
Structure of human glutamate carboxypeptidase II (GCPII) in complex with L-serine-O-sulfate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Barinka, C, Lubkowski, J.
Deposit date:2007-05-10
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structural insight into the pharmacophore pocket of human glutamate carboxypeptidase II.
J.Med.Chem., 50, 2007
6MD4
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BU of 6md4 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Rosiglitazone and Oleic acid
Descriptor: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), OLEIC ACID, ...
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
3TN0
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BU of 3tn0 by Molmil
Structure of mouse Va14Vb8.2NKT TCR-mouse CD1d-a-C-Galactosylceramide complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
Authors:Patel, O, Rossjohn, J.
Deposit date:2011-09-01
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:NKT TCR Recognition of CD1d-{alpha}-C-Galactosylceramide.
J.Immunol., 187, 2011
6LSY
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BU of 6lsy by Molmil
AAA+ ATPase, ClpL from Streptococcus pneumoniae - ATP bound
Descriptor: ATP-dependent Clp protease, ATP-binding subunit
Authors:Kim, G, Lee, S.G, Han, S, Jung, J, Jeong, H.S, Hyun, J.K, Rhee, D.K, Kim, H.M, Lee, S.
Deposit date:2020-01-20
Release date:2021-01-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (6.33 Å)
Cite:ClpL is a functionally active tetradecameric AAA+ chaperone, distinct from hexameric/dodecameric ones.
Faseb J., 34, 2020
3UA8
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BU of 3ua8 by Molmil
Crystal Structure Analysis of a 6-Amino Quinazolinedione Sulfonamide bound to human GluR2
Descriptor: Glutamate receptor 2, N-methyl-1-{3-[(methylsulfonyl)amino]-2,4-dioxo-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-6-yl}-1H-imidazole-4-carboxamide
Authors:Kallen, J.
Deposit date:2011-10-21
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:6-Amino quinazolinedione sulfonamides as orally active competitive AMPA receptor antagonists.
Bioorg.Med.Chem.Lett., 22, 2012
3TQW
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BU of 3tqw by Molmil
Structure of a ABC transporter, periplasmic substrate-binding protein from Coxiella burnetii
Descriptor: METHIONINE, Methionine-binding protein, SULFATE ION
Authors:Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-21
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
6LNU
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BU of 6lnu by Molmil
Cryo-EM structure of immature Zika virus
Descriptor: Genome polyprotein
Authors:Tan, T.Y, Fibriansah, G, Kostyuchenko, V.A, Ng, T.S, Lim, X.X, Lim, X.N, Shi, J, Morais, M.C, Corti, D, Lok, S.M.
Deposit date:2020-01-02
Release date:2020-02-26
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Capsid protein structure in Zika virus reveals the flavivirus assembly process.
Nat Commun, 11, 2020
3TRC
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BU of 3trc by Molmil
Structure of the GAF domain from a phosphoenolpyruvate-protein phosphotransferase (ptsP) from Coxiella burnetii
Descriptor: PHOSPHATE ION, Phosphoenolpyruvate-protein phosphotransferase, SODIUM ION
Authors:Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
2PJL
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BU of 2pjl by Molmil
Crystal Structure of Human Estrogen-Related Receptor alpha in Complex with a Synthetic Inverse Agonist reveals its Novel Molecular Mechanism
Descriptor: 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE, Steroid hormone receptor ERR1
Authors:Kallen, J.
Deposit date:2007-04-16
Release date:2007-06-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of human estrogen-related receptor alpha in complex with a synthetic inverse agonist reveals its novel molecular mechanism.
J.Biol.Chem., 282, 2007
2PMN
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BU of 2pmn by Molmil
Crystal structure of PfPK7 in complex with an ATP-site inhibitor
Descriptor: 4-(6-{[(1S)-1-(HYDROXYMETHYL)-2-METHYLPROPYL]AMINO}IMIDAZO[1,2-B]PYRIDAZIN-3-YL)BENZONITRILE, Ser/Thr protein kinase, putative
Authors:Merckx, A, Echalier, A, Noble, M, Endicott, J.
Deposit date:2007-04-23
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of P. falciparum protein kinase 7 identify an activation motif and leads for inhibitor design.
Structure, 16, 2008
6MD1
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BU of 6md1 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and Oleic acid
Descriptor: 2-chloro-5-nitro-N-phenylbenzamide, OLEIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018

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