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6IQU
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BU of 6iqu by Molmil
Crystal structure of Prc with PDZ domain deletion in complex with NlpI
Descriptor: Lipoprotein NlpI, Tail-specific protease
Authors:Chueh, C.K, Chang, C.I.
Deposit date:2018-11-08
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Basis for the Differential Regulatory Roles of the PDZ Domain in C-Terminal Processing Proteases.
Mbio, 10, 2019
2MLX
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BU of 2mlx by Molmil
NMR structure of E. coli Trigger Factor in complex with unfolded PhoA220-310
Descriptor: Alkaline phosphatase, Trigger factor
Authors:Saio, T, Guan, X, Rossi, P, Economou, A, Kalodimos, C.G.
Deposit date:2014-03-05
Release date:2014-05-21
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural basis for protein antiaggregation activity of the trigger factor chaperone.
Science, 344, 2014
4ZW5
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BU of 4zw5 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9f
Descriptor: M1 family aminopeptidase, MAGNESIUM ION, ZINC ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
2RI2
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BU of 2ri2 by Molmil
Crystal structure of the 3-MBT repeats from human L3MBTL1 with D355A point mutation
Descriptor: DI(HYDROXYETHYL)ETHER, Lethal(3)malignant brain tumor-like protein, SULFATE ION, ...
Authors:Li, H, Patel, D.J.
Deposit date:2007-10-10
Release date:2007-12-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for Lower Lysine Methylation State-Specific Readout by MBT Repeats of L3MBTL1 and an Engineered PHD Finger.
Mol.Cell, 28, 2007
6RFS
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BU of 6rfs by Molmil
Cryo-EM structure of a respiratory complex I mutant lacking NDUFS4
Descriptor: Acyl carrier protein ACPM1 of NADH:Ubiquinone Oxidoreductase (Complex I), Acyl carrier protein ACPM2 of NADH:Ubiquinone Oxidoreductase (Complex I), FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Parey, K, Vonck, J.
Deposit date:2019-04-16
Release date:2019-12-11
Last modified:2019-12-25
Method:ELECTRON MICROSCOPY (4.04 Å)
Cite:High-resolution cryo-EM structures of respiratory complex I: Mechanism, assembly, and disease.
Sci Adv, 5, 2019
4ZX5
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BU of 4zx5 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10q
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
6ZVP
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BU of 6zvp by Molmil
Atomic model of the EM-based structure of the full-length tyrosine hydroxylase in complex with dopamine (residues 40-497) in which the regulatory domain (residues 40-165) has been included only with the backbone atoms
Descriptor: FE (III) ION, L-DOPAMINE, Tyrosine 3-monooxygenase
Authors:Bueno-Carrasco, M.T, Cuellar, J, Santiago, C, Valpuesta, J.M, Martinez, A, Flydal, M.I.
Deposit date:2020-07-27
Release date:2021-11-17
Last modified:2022-02-02
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural mechanism for tyrosine hydroxylase inhibition by dopamine and reactivation by Ser40 phosphorylation.
Nat Commun, 13, 2022
4B3P
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BU of 4b3p by Molmil
Structures of HIV-1 RT and RNA-DNA Complex Reveal a Unique RT Conformation and Substrate Interface
Descriptor: DNA, P51 RT, REVERSE TRANSCRIPTASE/RIBONUCLEASE H, ...
Authors:Lapkouski, M, Tian, L, Miller, J.T, Le Grice, S.F.J, Yang, W.
Deposit date:2012-07-25
Release date:2013-01-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (4.839 Å)
Cite:Complexes of HIV-1 RT, Nnrti and RNA/DNA Hybrid Reveal a Structure Compatible with RNA Degradation
Nat.Struct.Mol.Biol., 20, 2013
6ZZU
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BU of 6zzu by Molmil
Partial structure of the substrate-free tyrosine hydroxylase (apo-TH).
Descriptor: FE (III) ION, Tyrosine 3-monooxygenase
Authors:Bueno-Carrasco, M.T, Cuellar, J, Santiago, C, Valpuesta, J.M, Martinez, A, Flydal, M.I.
Deposit date:2020-08-05
Release date:2021-11-17
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural mechanism for tyrosine hydroxylase inhibition by dopamine and reactivation by Ser40 phosphorylation.
Nat Commun, 13, 2022
7A2G
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BU of 7a2g by Molmil
Full-length structure of the substrate-free tyrosine hydroxylase (apo-TH).
Descriptor: FE (III) ION, Tyrosine 3-monooxygenase
Authors:Bueno-Carrasco, M.T, Cuellar, J, Santiago, C, Flydal, M.I, Martinez, A, Valpuesta, J.M.
Deposit date:2020-08-17
Release date:2021-12-01
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural mechanism for tyrosine hydroxylase inhibition by dopamine and reactivation by Ser40 phosphorylation.
Nat Commun, 13, 2022
2CJ8
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BU of 2cj8 by Molmil
Crystal Structure of a Cell Wall Invertase Inhibitor from Tobacco (pH 9.5)
Descriptor: INVERTASE INHIBITOR, IODIDE ION
Authors:Hothorn, M, Scheffzek, K.
Deposit date:2006-03-29
Release date:2006-04-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Multiple Crystal Forms of the Cell-Wall Invertase Inhibitor from Tobacco Support High Conformational Rigidity Over a Broad Ph-Range
Acta Crystallogr.,Sect.D, 62, 2006
6ZN2
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BU of 6zn2 by Molmil
Partial structure of tyrosine hydroxylase in complex with dopamine showing the catalytic domain and an alpha-helix from the regulatory domain involved in dopamine binding.
Descriptor: FE (III) ION, L-DOPAMINE, SER-LEU-ILE-GLU-ASP-ALA-ARG-LYS-GLU-ARG-GLU-ALA-ALA-VAL-ALA-ALA-ALA-ALA, ...
Authors:Bueno-Carrasco, M.T, Cuellar, J, Santiago, C, Valpuesta, J.M, Martinez, A, Flydal, M.I.
Deposit date:2020-07-06
Release date:2021-12-08
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural mechanism for tyrosine hydroxylase inhibition by dopamine and reactivation by Ser40 phosphorylation.
Nat Commun, 13, 2022
6IBP
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BU of 6ibp by Molmil
Structure of a psychrophilic CCA-adding enzyme at room temperature in ChipX microfluidic device
Descriptor: CCA-adding enzyme
Authors:de Wijn, R, Hennig, O, Rollet, K, Bluhm, A, Betat, H, Moerl, M, Lorber, B, Sauter, C.
Deposit date:2018-11-30
Release date:2019-05-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.536 Å)
Cite:A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
6RIH
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BU of 6rih by Molmil
Crystal structure of PHGDH in complex with compound 9
Descriptor: D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide
Authors:Bader, G, Wolkerstorfer, B, Zoephel, A.
Deposit date:2019-04-24
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
2ILM
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BU of 2ilm by Molmil
Factor Inhibiting HIF-1 Alpha D201A Mutant in Complex with FE(II), Alpha-Ketoglutarate and HIF-1 Alpha 35mer
Descriptor: 2-OXOGLUTARIC ACID, BICARBONATE ION, FE (II) ION, ...
Authors:Mcdonough, M.A, Schofield, C.J.
Deposit date:2006-10-03
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evidence that two enzyme-derived histidine ligands are sufficient for iron binding and catalysis by factor inhibiting HIF (FIH).
J.Biol.Chem., 283, 2008
4B3O
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BU of 4b3o by Molmil
Structures of HIV-1 RT and RNA-DNA Complex Reveal a Unique RT Conformation and Substrate Interface
Descriptor: (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, 5'-D(*CP*GP*TP*AP*TP*GP*CP*CP*TP*AP*TP*AP*GP*TP *TP*AP*TP*TP*GP*TP*GP*GP*CP*C)-3', 5'-R(*AP*UP*GP*AP*3DRP*GP*GP*CP*CP*AP*CP*AP*AP*UP*AP *AP*CP*UP*AP*UP*AP*GP*GP*CP*AP*UP*A)-3', ...
Authors:Lapkouski, M, Tian, L, Miller, J.T, Le Grice, S.F.J, Yang, W.
Deposit date:2012-07-25
Release date:2013-01-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Complexes of HIV-1 RT, Nnrti and RNA/DNA Hybrid Reveal a Structure Compatible with RNA Degradation
Nat.Struct.Mol.Biol., 20, 2013
6RO5
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BU of 6ro5 by Molmil
1Yr-Y: Lysozyme with Re Cluster 1 year on shelf
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
Authors:Brink, A, Helliwell, J.R.
Deposit date:2019-05-10
Release date:2019-06-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Formation of a highly dense tetra-rhenium cluster in a protein crystal and its implications in medical imaging.
Iucrj, 6, 2019
6RJ2
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BU of 6rj2 by Molmil
Crystal structure of PHGDH in complex with compound 40
Descriptor: D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide
Authors:Bader, G, Wolkerstorfer, B, Zoephel, A.
Deposit date:2019-04-26
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
6ROK
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BU of 6rok by Molmil
The crystal structure of a complex between the LlFpg protein, a THF-DNA and an inhibitor
Descriptor: 2,8-dithioxo-1,2,3,7,8,9-hexahydro-6H-purin-6-one, DNA (5'-D(*CP*TP*CP*TP*TP*TP*(3DR)P*TP*TP*TP*CP*TP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*AP*GP*AP*AP*AP*CP*AP*AP*AP*GP*A)-3'), ...
Authors:Coste, F, Goffinont, S, Castaing, B.
Deposit date:2019-05-13
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Thiopurine Derivative-Induced Fpg/Nei DNA Glycosylase Inhibition: Structural, Dynamic and Functional Insights.
Int J Mol Sci, 21, 2020
4ZW6
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BU of 4zw6 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9q
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
6RJO
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BU of 6rjo by Molmil
Complex structure of virulence factor SghA with its substrate analog salicin
Descriptor: 2-(hydroxymethyl)phenyl beta-D-glucopyranoside, Beta-glucosidase
Authors:Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G.
Deposit date:2019-04-28
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.804 Å)
Cite:Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals.
Proc.Natl.Acad.Sci.USA, 116, 2019
2M5E
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BU of 2m5e by Molmil
Structure of the C-domain of Calcium-saturated Calmodulin bound to the IQ motif of NaV1.2
Descriptor: CALCIUM ION, Calmodulin, Sodium channel protein type 2 subunit alpha
Authors:Fowler, C.A, Feldkamp, M.D, Yu, L, Shea, M.A.
Deposit date:2013-02-21
Release date:2014-07-23
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Calcium triggers reversal of calmodulin on nested anti-parallel sites in the IQ motif of the neuronal voltage-dependent sodium channel NaV1.2.
Biophys. Chem., 224, 2017
2LXP
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BU of 2lxp by Molmil
NMR structure of two domains in ubiquitin ligase gp78, RING and G2BR, bound to its conjugating enzyme Ube2g
Descriptor: E3 ubiquitin-protein ligase AMFR, Ubiquitin-conjugating enzyme E2 G2, ZINC ION
Authors:Das, R, Linag, Y, Mariano, J, Li, J, Huang, T, King, A, Weissman, A, Ji, X, Byrd, R.
Deposit date:2012-08-30
Release date:2013-08-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Allosteric regulation of E2:E3 interactions promote a processive ubiquitination machine.
Embo J., 32, 2013
6RKV
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BU of 6rkv by Molmil
E. coli DNA Gyrase - DNA binding and cleavage domain in State 2
Descriptor: DNA Strand 1, DNA Strand 2, DNA gyrase subunit A, ...
Authors:Vanden Broeck, A, Lamour, V.
Deposit date:2019-04-30
Release date:2019-11-06
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Cryo-EM structure of the complete E. coli DNA gyrase nucleoprotein complex.
Nat Commun, 10, 2019
6RRX
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BU of 6rrx by Molmil
GOLGI ALPHA-MANNOSIDASE II in complex with (2S,3R)-2-(Hydroxymethyl)-3-piperidinol
Descriptor: (2~{S},3~{R})-2-(hydroxymethyl)piperidin-3-ol, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ...
Authors:Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
Deposit date:2019-05-20
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020

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