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4BTM
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BU of 4btm by Molmil
TTBK1 in complex with inhibitor
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, SULFATE ION, ...
Authors:Xue, Y, Wan, P, Hillertz, P, Schweikart, F, Zhao, Y, Wissler, L, Dekker, N.
Deposit date:2013-06-18
Release date:2013-09-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:X-Ray Structural Analysis of Tau-Tubulin Kinase 1 and its Interactions with Small Molecular Inhibitors.
Chemmedchem, 8, 2013
3HCM
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BU of 3hcm by Molmil
Crystal structure of human S100B in complex with S45
Descriptor: (3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine, ACETATE ION, CALCIUM ION, ...
Authors:Mangani, S, Cesari, L.
Deposit date:2009-05-06
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragmenting the S100B-p53 Interaction: Combined Virtual/Biophysical Screening Approaches to Identify Ligands
Chemmedchem, 5, 2010
3DP4
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BU of 3dp4 by Molmil
Crystal structure of the binding domain of the AMPA subunit GluR3 bound to AMPA
Descriptor: (S)-ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID, Glutamate receptor 3, ZINC ION
Authors:Ahmed, A.H, Wang, Q, Sondermann, H, Oswald, R.E.
Deposit date:2008-07-07
Release date:2008-11-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structure of the S1S2 glutamate binding domain of GLuR3.
Proteins, 75, 2008
2CRU
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BU of 2cru by Molmil
Solution structure of programmed cell death 5
Descriptor: Programmed cell death protein 5
Authors:Nagashima, T, Izumi, K, Hayashi, F, Yoshida, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-05-20
Release date:2005-11-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of programmed cell death 5
To be published
2YZ4
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BU of 2yz4 by Molmil
The neutron structure of concanavalin A at 2.2 Angstroms
Descriptor: CALCIUM ION, Concanavalin A, MANGANESE (II) ION
Authors:Ahmed, H.U, Blakeley, M.P, Cianci, M, Hubbard, J.A, Helliwell, J.R.
Deposit date:2007-05-02
Release date:2008-02-05
Last modified:2023-10-25
Method:NEUTRON DIFFRACTION (2.2 Å)
Cite:The determination of protonation states in proteins.
Acta Crystallogr.,Sect.D, 63, 2007
5M43
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BU of 5m43 by Molmil
Crystal structure of Yvh1 phosphatase domain from Chaetomium thermophilum
Descriptor: GLYCEROL, NITRATE ION, Putative uncharacterized protein
Authors:Ahmed, Y.L, Sinning, I.
Deposit date:2016-10-18
Release date:2016-11-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.646 Å)
Cite:Interaction network of the ribosome assembly machinery from a eukaryotic thermophile.
Protein Sci., 26, 2017
3AU9
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BU of 3au9 by Molmil
Crystal structure of the quaternary complex-1 of an isomerase
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, CALCIUM ION, ...
Authors:Umeda, T, Tanaka, N, Kusakabe, Y, Nakanishi, M, Kitade, Y, Nakamura, K.T.
Deposit date:2011-02-01
Release date:2011-08-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular basis of fosmidomycin's action on the human malaria parasite Plasmodium falciparum
Sci Rep, 1, 2011
6OGM
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BU of 6ogm by Molmil
Crystal structure of apo unFused 4-OT
Descriptor: 4-oxalocrotonate tautomerase, GLYCEROL
Authors:Medellin, B.P, Whitman, C.P, Zhang, Y.J.
Deposit date:2019-04-03
Release date:2020-02-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.865 Å)
Cite:Structural, Kinetic, and Mechanistic Analysis of an Asymmetric 4-Oxalocrotonate Tautomerase Trimer.
Biochemistry, 58, 2019
6ZFV
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BU of 6zfv by Molmil
Solution NMR structure of human GATA2 N-terminal zinc finger domain
Descriptor: Endothelial transcription factor GATA-2, ZINC ION
Authors:Nurmohamed, S.S, Broadhurst, R.W, May, G, Enver, T.
Deposit date:2020-06-18
Release date:2021-06-30
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Solution NMR structure of human GATA2 C-terminal zinc finger domain
To Be Published
5M3Q
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BU of 5m3q by Molmil
Crystal structure of Tif6 from Chaetomium thermophilum
Descriptor: Eukaryotic translation initiation factor 6, GLYCEROL, SULFATE ION
Authors:Ahmed, Y.L, Calvino, F.R, Sinning, I.
Deposit date:2016-10-17
Release date:2016-11-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Interaction network of the ribosome assembly machinery from a eukaryotic thermophile.
Protein Sci., 26, 2017
3AUA
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BU of 3aua by Molmil
Crystal structure of the quaternary complex-2 of an isomerase
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[ethanoyl(hydroxy)amino]propylphosphonic acid, CALCIUM ION, ...
Authors:Umeda, T, Tanaka, N, Kusakabe, Y, Nakanishi, M, Kitade, Y, Nakamura, K.T.
Deposit date:2011-02-01
Release date:2011-08-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Molecular basis of fosmidomycin's action on the human malaria parasite Plasmodium falciparum
Sci Rep, 1, 2011
3AU8
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BU of 3au8 by Molmil
Crystal structure of the ternary complex of an isomerase
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MANGANESE (II) ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Umeda, T, Tanaka, N, Kusakabe, Y, Nakanishi, M, Kitade, Y, Nakamura, K.T.
Deposit date:2011-02-01
Release date:2011-08-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Molecular basis of fosmidomycin's action on the human malaria parasite Plasmodium falciparum
Sci Rep, 1, 2011
8PAQ
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BU of 8paq by Molmil
Structure of the small subunit of the laccase-like Nlac protein from Pleurotus eryngii
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, IMIDAZOLE, ...
Authors:Medrano, F.J, Camarero, S.
Deposit date:2023-06-08
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Role and structure of the small subunit forming heterodimers with laccase-like enzymes.
Protein Sci., 32, 2023
4RIS
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BU of 4ris by Molmil
Structural Analysis of the Unmutated Ancestor of the HIV-1 Envelope V2 Region Antibody CH58 Isolated From an RV144 HIV-1 Vaccine Efficacy Trial Vaccinee and Associated with Decreased Transmission Risk
Descriptor: CH58-UA Fab heavy chain, CH58-UA Fab light chain, Envelope glycoprotein
Authors:Nicely, N.I, Wiehe, K, Kepler, T.B, Jaeger, F.H, Dennison, S.M, Liao, H.-X, Alam, S.M, Hwang, K.-K, Bonsignori, M, Rerks-Ngarm, S, Nitayaphan, S, Pitisuttithum, P, Kaewkungwal, J, Robb, M.L, O'Connell, R.J, Michael, N.L, Kim, J.H, Haynes, B.F.
Deposit date:2014-10-07
Release date:2015-08-12
Last modified:2015-09-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural analysis of the unmutated ancestor of the HIV-1 envelope V2 region antibody CH58 isolated from an RV144 vaccine efficacy trial vaccinee.
EBioMedicine, 2, 2015
4RIR
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BU of 4rir by Molmil
Structural Analysis of the Unmutated Ancestor of the HIV-1 Envelope V2 Region Antibody CH58 Isolated From an RV144 HIV-1 Vaccine Efficacy Trial Vaccinee and Associated with Decreased Transmission Risk
Descriptor: CH58-UA Fab heavy chain, CH58-UA Fab light chain
Authors:Nicely, N.I, Wiehe, K, Kepler, T.B, Jaeger, F.H, Dennison, S.M, Liao, H.-X, Alam, S.M, Hwang, K.-K, Bonsignori, M, Rerks-Ngarm, S, Nitayaphan, S, Pitisuttithum, P, Kaewkungwal, J, Robb, M.L, O'Connell, R.J, Michael, N.L, Kim, J.H, Haynes, B.F.
Deposit date:2014-10-07
Release date:2015-08-12
Last modified:2015-09-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural analysis of the unmutated ancestor of the HIV-1 envelope V2 region antibody CH58 isolated from an RV144 vaccine efficacy trial vaccinee.
EBioMedicine, 2, 2015
5O9B
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BU of 5o9b by Molmil
Solution NMR structure of human GATA2 C-terminal zinc finger domain
Descriptor: Endothelial transcription factor GATA-2, ZINC ION
Authors:Nurmohamed, S.S, Broadhurst, R.W, May, G, Enver, T.
Deposit date:2017-06-16
Release date:2019-02-06
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Solution NMR structure of human GATA2 C-terminal zinc finger domain
To Be Published
7VM8
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BU of 7vm8 by Molmil
Crystal structure of the MtDMI1 gating ring
Descriptor: Ion channel DMI1
Authors:Huang, X, Zhang, P.
Deposit date:2021-10-08
Release date:2022-08-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.034 Å)
Cite:Constitutive activation of a nuclear-localized calcium channel complex in Medicago truncatula.
Proc.Natl.Acad.Sci.USA, 119, 2022
8SWL
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BU of 8swl by Molmil
Substrate free structure of cytochrome P450 CYP105Q4 from mycobacterium marinum
Descriptor: Cytochrome P450 105Q4 Cyp105Q4, PROTOPORPHYRIN IX CONTAINING FE, TRIETHYLENE GLYCOL
Authors:Mohamed, H.A, Bruning, J.B, Bell, S.G.
Deposit date:2023-05-19
Release date:2024-03-27
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural determination and characterisation of the CYP105Q4 cytochrome P450 enzyme from Mycobacterium marinum.
Arch.Biochem.Biophys., 754, 2024
2N0C
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BU of 2n0c by Molmil
NMR structure of Neuromedin C in 10% TFE
Descriptor: Neuromedin C (NMC)
Authors:Adrover, M, Sanchis, P, Vilanova, B, Pauwels, K, Martorell, G, Perez, J.
Deposit date:2015-03-05
Release date:2015-10-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Conformational ensembles of neuromedin C reveal a progressive coil-helix transition within a binding-induced folding mechanism.
RSC ADV, 5, 2015
2N0B
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BU of 2n0b by Molmil
NMR structure of Neuromedin C in aqueous solution
Descriptor: Neuromedin C (NMC)
Authors:Adrover, M, Sanchis, P, Vilanova, B, Pauwels, K, Martorell, G, Perez, J.
Deposit date:2015-03-05
Release date:2015-10-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Conformational ensembles of neuromedin C reveal a progressive coil-helix transition within a binding-induced folding mechanism.
RSC ADV, 5, 2015
2N0F
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BU of 2n0f by Molmil
NMR structure of Neuromedin C in 60% TFE
Descriptor: Neuromedin C (NMC)
Authors:Adrover, M, Sanchis, P, Vilanova, B, Pauwels, K, Martorell, G, Perez, J.
Deposit date:2015-03-05
Release date:2015-10-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Conformational ensembles of neuromedin C reveal a progressive coil-helix transition within a binding-induced folding mechanism.
RSC ADV, 5, 2015
2N0G
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BU of 2n0g by Molmil
NMR structure of Neuromedin C in 90% TFE
Descriptor: Neuromedin C (NMC)
Authors:Adrover, M, Sanchis, P, Vilanova, B, Pauwels, K, Martorell, G, Perez, J.
Deposit date:2015-03-05
Release date:2015-10-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Conformational ensembles of neuromedin C reveal a progressive coil-helix transition within a binding-induced folding mechanism.
RSC ADV, 5, 2015
2N0H
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BU of 2n0h by Molmil
NMR structure of Neuromedin C in presence of SDS micelles
Descriptor: Neuromedin C (NMC)
Authors:Adrover, M, Sanchis, P, Vilanova, B, Pauwels, K, Martorell, G, Perez, J.
Deposit date:2015-03-05
Release date:2015-10-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Conformational ensembles of neuromedin C reveal a progressive coil-helix transition within a binding-induced folding mechanism.
RSC ADV, 5, 2015
5M96
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BU of 5m96 by Molmil
Synthesis and biological evaluation of new triazolo and imidazolopyridine RORgt inverse agonists
Descriptor: Nuclear receptor ROR-gamma, ~{N}-[8-[[(3~{S})-4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl]methyl]-7-methyl-imidazo[1,2-a]pyridin-6-yl]-2-methyl-pyrimidine-5-carboxamide
Authors:Kallen, J.
Deposit date:2016-10-31
Release date:2016-12-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Synthesis and Biological Evaluation of New Triazolo- and Imidazolopyridine ROR gamma t Inverse Agonists.
ChemMedChem, 11, 2016
2N0E
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BU of 2n0e by Molmil
NMR structure of Neuromedin C in 40% TFE
Descriptor: Neuromedin C (NMC)
Authors:Adrover, M, Sanchis, P, Vilanova, B, Pauwels, K, Martorell, G, Perez, J.
Deposit date:2015-03-05
Release date:2015-10-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Conformational ensembles of neuromedin C reveal a progressive coil-helix transition within a binding-induced folding mechanism.
RSC ADV, 5, 2015

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