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3B8N
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BU of 3b8n by Molmil
Structure of FepE- Bacterial Polysaccharide Co-polymerase
Descriptor: Ferric enterobactin (Enterochelin) transport
Authors:Tocilj, A, Matte, A, Cygler, M.
Deposit date:2007-11-01
Release date:2008-01-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Bacterial polysaccharide co-polymerases share a common framework for control of polymer length
Nat.Struct.Mol.Biol., 15, 2008
3BJE
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BU of 3bje by Molmil
Crystal structure of Trypanosoma brucei nucleoside phosphorylase shows uridine phosphorylase activity
Descriptor: 1-O-phosphono-alpha-D-ribofuranose, CALCIUM ION, Nucleoside phosphorylase, ...
Authors:Larson, E.T, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2007-12-03
Release date:2007-12-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:The Crystal Structure and Activity of a Putative Trypanosomal Nucleoside Phosphorylase Reveal It to be a Homodimeric Uridine Phosphorylase
J.Mol.Biol., 396, 2010
3GUR
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BU of 3gur by Molmil
Crystal Structure of mu class glutathione S-transferase (GSTM2-2) in complex with glutathione and 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (NBDHEX)
Descriptor: 1,2-ETHANEDIOL, GLUTATHIONE, Glutathione S-transferase Mu 2, ...
Authors:Federici, L, Lo Sterzo, C, Di Matteo, A, Scaloni, F, Federici, G, Caccuri, A.M.
Deposit date:2009-03-30
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the binding of the anticancer compound 6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol to human glutathione s-transferases
Cancer Res., 69, 2009
3KER
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BU of 3ker by Molmil
D-Dopachrome tautomerase (D-DT)/ macrophage migration inhibitory factor 2 (MIF2) complexed with inhibitor 4-IPP
Descriptor: 4-phenylpyrimidine, CHLORIDE ION, D-dopachrome decarboxylase, ...
Authors:Zierow, S, Lolis, E.
Deposit date:2009-10-26
Release date:2010-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Targeting distinct tautomerase sites of D-DT and MIF with a single molecule for inhibition of neutrophil lung recruitment.
Faseb J., 28, 2014
7G81
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BU of 7g81 by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z104474512
Descriptor: 1-(2-ethoxyphenyl)piperazine, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2023-06-22
Release date:2023-07-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:ARHGEF2 PanDDA analysis group deposition
To Be Published
7G8U
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ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z131833926
Descriptor: (3S)-3-{[(4R)-4-methyl-3,4-dihydropyridin-1(2H)-yl]methyl}-3H-indole, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2023-06-22
Release date:2023-07-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:ARHGEF2 PanDDA analysis group deposition
To Be Published
2Y9Q
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BU of 2y9q by Molmil
Crystal structure of human ERK2 complexed with a MAPK docking peptide
Descriptor: MAP KINASE-INTERACTING SERINE/THREONINE-PROTEIN KINASE 1, MITOGEN-ACTIVATED PROTEIN KINASE 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Barkai, T, Garai, A, Toeroe, I, Remenyi, A.
Deposit date:2011-02-16
Release date:2012-02-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Specificity of Linear Motifs that Bind to a Common Mitogen-Activated Protein Kinase Docking Groove.
Sci. Signal, 5, 2012
3ALN
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BU of 3aln by Molmil
Crystal Structure of human non-phosphorylated MKK4 kinase domain complexed with AMP-PNP
Descriptor: Dual specificity mitogen-activated protein kinase kinase 4, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Matsumoto, T, Kinoshita, T, Kirii, Y, Yokota, K, Hamada, K, Tada, T.
Deposit date:2010-08-04
Release date:2010-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of MKK4 kinase domain reveal that substrate peptide binds to an allosteric site and induces an auto-inhibition state
Biochem.Biophys.Res.Commun., 400, 2010
3AL3
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BU of 3al3 by Molmil
Crystal Structure of TopBP1 BRCT7/8-BACH1 peptide complex
Descriptor: DNA topoisomerase 2-binding protein 1, FORMIC ACID, Peptide of Fanconi anemia group J protein
Authors:Leung, C.C, Glover, J.N.
Deposit date:2010-07-22
Release date:2010-12-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Molecular basis of BACH1/FANCJ recognition by TopBP1 in DNA replication checkpoint control
J.Biol.Chem., 286, 2011
3C3K
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BU of 3c3k by Molmil
Crystal structure of an uncharacterized protein from Actinobacillus succinogenes
Descriptor: Alanine racemase, CHLORIDE ION, GLYCEROL
Authors:Malashkevich, V.N, Toro, R, Meyer, A.J, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-01-28
Release date:2008-02-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal structure of an uncharacterized protein from Actinobacillus succinogenes.
To be Published
3CB8
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BU of 3cb8 by Molmil
4Fe-4S-Pyruvate formate-lyase activating enzyme in complex with AdoMet and a peptide substrate
Descriptor: FORMIC ACID, IRON/SULFUR CLUSTER, Pyruvate formate-lyase 1-activating enzyme, ...
Authors:Vey, J.L, Drennan, C.L.
Deposit date:2008-02-21
Release date:2008-10-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Structural basis for glycyl radical formation by pyruvate formate-lyase activating enzyme.
Proc.Natl.Acad.Sci.Usa, 105, 2008
8UKX
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BU of 8ukx by Molmil
Crystal structure the extracellular region of the epidermal growth factor receptor variant III (EGFRvIII) at pH 7.0
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Stayrook, S.E, Ferguson, K.M.
Deposit date:2023-10-15
Release date:2024-06-12
Method:X-RAY DIFFRACTION (3.301 Å)
Cite:Structural insights into the role and targeting of EGFRvIII
Structure, 2024
8QEL
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BU of 8qel by Molmil
PKR kinase domain- eIF2alpha in complex with compound
Descriptor: (3~{Z})-3-[(4-methyl-1~{H}-imidazol-5-yl)methylidene]-2-oxidanylidene-1~{H}-indole-5-carboxamide, Eukaryotic translation initiation factor 2 subunit alpha, Interferon-induced, ...
Authors:Nawrotek, A, Vuillard, L, Miallau, L.
Deposit date:2023-08-31
Release date:2023-09-13
Method:X-RAY DIFFRACTION (2.451 Å)
Cite:PKR kinase domain- eIF2alpha in complex with compound
To Be Published
8QNH
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Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (WO2020264398 Ex23)
Descriptor: 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
Authors:Schimpl, M.
Deposit date:2023-09-26
Release date:2023-11-22
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
8QNG
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BU of 8qng by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine HTS hit compound 1)
Descriptor: 2-(morpholin-4-ylmethyl)-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
Authors:Schimpl, M.
Deposit date:2023-09-26
Release date:2023-11-22
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
8QNI
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BU of 8qni by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine compound 25)
Descriptor: 2-[[(2~{S})-2-methylmorpholin-4-yl]methyl]-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydropyrido[3,4-e][1,4]diazepin-3-yl]benzamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
Authors:Schimpl, M.
Deposit date:2023-09-26
Release date:2023-11-22
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.483 Å)
Cite:Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
8QN5
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BU of 8qn5 by Molmil
M. tuberculosis salicylate synthase MbtI in complex with methyl-AMT (new crystal form)
Descriptor: 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid, AMMONIUM ION, CITRATE ANION, ...
Authors:Mori, M, Villa, S, Meneghetti, M, Bellinzoni, M.
Deposit date:2023-09-25
Release date:2023-11-15
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.544 Å)
Cite:Structural Study of a New MbtI-Inhibitor Complex: Towards an Optimized Model for Structure-Based Drug Discovery.
Pharmaceuticals, 16, 2023
8R4Q
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BU of 8r4q by Molmil
Salt inducible kinase 3 in complex with inhibitor
Descriptor: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, SULFATE ION, Serine/threonine-protein kinase SIK3, ...
Authors:Kack, H, Oster, L.
Deposit date:2023-11-14
Release date:2024-03-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.838 Å)
Cite:The structures of salt-inducible kinase 3 in complex with inhibitors reveal determinants for binding and selectivity.
J.Biol.Chem., 300, 2024
8T4S
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BU of 8t4s by Molmil
MERS-CoV Nsp1 protein bound to the Human 40S Ribosomal subunit
Descriptor: 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Devarkar, S.C, Xiong, Y.
Deposit date:2023-06-09
Release date:2023-10-04
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis for translation inhibition by MERS-CoV Nsp1 reveals a conserved mechanism for betacoronaviruses.
Cell Rep, 42, 2023
5HZV
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BU of 5hzv by Molmil
Crystal structure of the zona pellucida module of human endoglin/CD105
Descriptor: GLYCEROL, Maltose-binding periplasmic protein,Endoglin, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Bokhove, M, Saito, T, Jovine, L.
Deposit date:2016-02-03
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis of the Human Endoglin-BMP9 Interaction: Insights into BMP Signaling and HHT1.
Cell Rep, 19, 2017
8TZB
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BU of 8tzb by Molmil
Structure of the C-terminal half of LRRK2 bound to GZD-824 (I2020T mutant)
Descriptor: 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide, Leucine-rich repeat serine/threonine-protein kinase 2, designed ankyrin repeat proteins E11
Authors:Villagran-Suarez, A, Sanz-Murillo, M, Alegrio-Louro, J, Leschziner, A.
Deposit date:2023-08-26
Release date:2023-12-06
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures.
Sci Adv, 9, 2023
8TYQ
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Structure of the C-terminal half of LRRK2 bound to GZD-824 (G2019S mutant)
Descriptor: 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide, Designed Ankyrin Repeats Protein E11, Leucine-rich repeat serine/threonine-protein kinase 2
Authors:Villagran-Suarez, A, Sanz-Murillo, M, Alegrio-Louro, J, Leschziner, A.
Deposit date:2023-08-25
Release date:2023-12-06
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures.
Sci Adv, 9, 2023
8TZE
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BU of 8tze by Molmil
Structure of C-terminal half of LRRK2 bound to GZD-824
Descriptor: 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide, Leucine-rich repeat serine/threonine-protein kinase 2
Authors:Villagran-Suarez, A, Sanz-Murillo, M, Alegrio-Louro, J, Leschziner, A.
Deposit date:2023-08-26
Release date:2023-12-06
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures.
Sci Adv, 9, 2023
8TZH
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BU of 8tzh by Molmil
Structure of full-length LRRK2 bound to MLi-2 (I2020T mutant)
Descriptor: (2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine, E11 DARPin, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Sanz-Murillo, M, Villagran-Suarez, A, Alegrio Louro, J, Leschziner, A.
Deposit date:2023-08-26
Release date:2023-12-06
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures.
Sci Adv, 9, 2023
8TZF
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Structure of full length LRRK2 bound to GZD-824 (I2020T mutant)
Descriptor: 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, ...
Authors:Villagran-Suarez, A, Sanz-Murillo, M, Alegrio-Louro, J, Leschziner, A.
Deposit date:2023-08-26
Release date:2023-12-06
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures.
Sci Adv, 9, 2023

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