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6GD7
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BU of 6gd7 by Molmil
Cytochrome c in complex with Sulfonato-calix[8]arene, H3 form with PEG
Descriptor: Cytochrome c iso-1, GLYCEROL, HEME C, ...
Authors:Rennie, M.L, Fox, G.C, Crowley, P.B.
Deposit date:2018-04-23
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Auto-regulated Protein Assembly on a Supramolecular Scaffold.
Angew. Chem. Int. Ed. Engl., 57, 2018
6GE6
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BU of 6ge6 by Molmil
X-ray structure of TEAD4(E263A+Y429F mutant) complexed with YAP(wildtype): The role of residual flexibility and water molecules in the adaptation of a bound intrinsically disordered protein to mutations at a binding interface
Descriptor: MYRISTIC ACID, PHOSPHATE ION, Transcriptional coactivator YAP1, ...
Authors:Kallen, J.
Deposit date:2018-04-25
Release date:2018-09-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Adaptation of the bound intrinsically disordered protein YAP to mutations at the YAP:TEAD interface.
Protein Sci., 27, 2018
6FYV
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BU of 6fyv by Molmil
X-RAY STRUCTURE OF CLK4-KD(146-480)/CX-4945 AT 2.46A
Descriptor: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Dual specificity protein kinase CLK4, SULFATE ION
Authors:Kallen, J.
Deposit date:2018-03-12
Release date:2018-07-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome.
ChemMedChem, 13, 2018
6SYM
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BU of 6sym by Molmil
Crystal structure of Escherichia coli MsrB (reduced form)
Descriptor: Peptide methionine sulfoxide reductase MsrB, ZINC ION
Authors:Napolitano, S, Zyla, D, Glockshuber, R.
Deposit date:2019-09-30
Release date:2020-10-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6302 Å)
Cite:Structure of Peptide methionine sulfoxide reductase MsrB at 1.63 Angstrom resolution
To Be Published
6G8K
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BU of 6g8k by Molmil
14-3-3sigma in complex with a S131beta3S mutated YAP pS127 phosphopeptide
Descriptor: 14-3-3 protein sigma, ACE-ARG-ALA-HIS-SEP-SER-PRO-ALA-BSE-LEU-GLN, CHLORIDE ION, ...
Authors:Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G.
Deposit date:2018-04-09
Release date:2019-04-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins.
Chem.Commun.(Camb.), 55, 2019
6FSI
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BU of 6fsi by Molmil
Crystal structure of semiquinone Flavodoxin 1 from Bacillus cereus (1.32 A resolution)
Descriptor: FLAVIN MONONUCLEOTIDE, Flavodoxin, SULFATE ION, ...
Authors:Gudim, I, Lofstad, M, Hersleth, H.-P.
Deposit date:2018-02-19
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:High-resolution crystal structures reveal a mixture of conformers of the Gly61-Asp62 peptide bond in an oxidized flavodoxin from Bacillus cereus.
Protein Sci., 27, 2018
6UF0
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BU of 6uf0 by Molmil
Crystal structure of N-(4-((4-methoxy-N-(2,2,2-trifluoroethyl)phenyl)sulfonamido)isoquinolin-1-yl)-N-((4-methoxyphenyl)sulfonyl)glycine bound to human Keap1 Kelch domain
Descriptor: DIMETHYL SULFOXIDE, FORMIC ACID, Kelch-like ECH-associated protein 1, ...
Authors:Lazzara, P.R, David, B.P, Ankireddy, A, Richardson, B.G, Dye, K, Ratia, K.M, Reddy, S.P, Moore, T.W.
Deposit date:2019-09-23
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Isoquinoline Kelch-like ECH-Associated Protein 1-Nuclear Factor (Erythroid-Derived 2)-like 2 (KEAP1-NRF2) Inhibitors with High Metabolic Stability.
J.Med.Chem., 63, 2020
6FXB
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BU of 6fxb by Molmil
Bovine beta-lactoglobulin variant A at pH 4.0
Descriptor: DI(HYDROXYETHYL)ETHER, Major allergen beta-lactoglobulin, NITRATE ION
Authors:Khan, S, Ipsen, R, Almdal, K, Svensson, B, Harris, P.
Deposit date:2018-03-08
Release date:2018-05-23
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Revealing the Dimeric Crystal and Solution Structure of beta-Lactoglobulin at pH 4 and Its pH and Salt Dependent Monomer-Dimer Equilibrium.
Biomacromolecules, 19, 2018
6TT2
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BU of 6tt2 by Molmil
The PH domain of Bruton's tyrosine kinase mutant R28C
Descriptor: MAGNESIUM ION, Tyrosine-protein kinase BTK, ZINC ION
Authors:Brear, P, Wagstaff, J, Hyvonen, M.
Deposit date:2019-12-23
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
To Be Published
6DXE
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BU of 6dxe by Molmil
Crystal structure of chalcone synthase from Arabidopsis thaliana - M64I F170S G173A S213G Q217A T270V C347S mutant
Descriptor: Chalcone synthase
Authors:Liou, G, Chiang, Y.C, Wang, Y, Weng, J.K.
Deposit date:2018-06-28
Release date:2018-10-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.608 Å)
Cite:Mechanistic basis for the evolution of chalcone synthase catalytic cysteine reactivity in land plants.
J. Biol. Chem., 293, 2018
6DX8
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BU of 6dx8 by Molmil
Crystal structure of chalcone synthase from Selaginella moellendorffii
Descriptor: Chalcone synthase
Authors:Liou, G, Chiang, Y.C, Wang, Y, Weng, J.K.
Deposit date:2018-06-28
Release date:2018-10-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanistic basis for the evolution of chalcone synthase catalytic cysteine reactivity in land plants.
J. Biol. Chem., 293, 2018
6TQI
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BU of 6tqi by Molmil
I-MOTIF STRUCTURE FORMED FROM THE C STRAND OF A HUMAN TELOMERE FRAGMENT
Descriptor: DNA (5'-*TP*AP*AP*CP*CP*CP*TP*AP*A-3')
Authors:Parkinson, G.N, Wagner, A, Viladoms-Claverol, J, Duman, R, El-Omari, K.
Deposit date:2019-12-16
Release date:2020-06-10
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths.
Nucleic Acids Res., 48, 2020
6DE6
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BU of 6de6 by Molmil
2.1 A resolution structure of histamine dehydrogenase from Rhizobium sp. 4-9
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Histamine dehydrogenase, ...
Authors:Goyal, P, Lovell, S, Richter, M.
Deposit date:2018-05-11
Release date:2019-05-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Rhizobium sp. 4-9 histamine dehydrogenase and analysis of the electron transfer pathway to an abiological electron acceptor.
Arch.Biochem.Biophys., 2023
6TEK
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BU of 6tek by Molmil
Structure of siderophore interaction domain of IrtAB
Descriptor: Drug ABC transporter ATP-binding protein, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Arnold, F.M, Gonda, I, Hutter, C.A.J, Seeger, M.A, Hurlimann, L.M.
Deposit date:2019-11-12
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The ABC exporter IrtAB imports and reduces mycobacterial siderophores.
Nature, 580, 2020
8UN5
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BU of 8un5 by Molmil
KRAS-G13D-GDP in complex with Cpd38 ((E)-1-((3S)-4-(7-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-6-chloro-8-fluoro-2-(((S)-2-methylenetetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)quinazolin-4-yl)-3-methylpiperazin-1-yl)-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one)
Descriptor: (2E)-1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(4R,7aS)-2-methylidenetetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one, GLYCEROL, GTPase KRas, ...
Authors:Ultsch, M.H.
Deposit date:2023-10-18
Release date:2023-12-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors.
Acs Med.Chem.Lett., 15, 2024
6DXB
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BU of 6dxb by Molmil
Crystal structure of chalcone synthase from Arabidopsis thaliana
Descriptor: Chalcone synthase
Authors:Liou, G, Chiang, Y.C, Wang, Y, Weng, J.K.
Deposit date:2018-06-28
Release date:2018-10-17
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (1.549 Å)
Cite:Mechanistic basis for the evolution of chalcone synthase catalytic cysteine reactivity in land plants.
J. Biol. Chem., 293, 2018
6VTP
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BU of 6vtp by Molmil
Crystal structure of G16C human Galectin-7 mutant
Descriptor: GLYCEROL, Galectin-7
Authors:Pham, N.T.H, Calmettes, C, Doucet, N.
Deposit date:2020-02-13
Release date:2021-08-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Perturbing dimer interactions and allosteric communication modulates the immunosuppressive activity of human galectin-7.
J.Biol.Chem., 297, 2021
6VTR
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BU of 6vtr by Molmil
Crystal structure of G16S human Galectin-7 mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Galectin-7
Authors:Pham, N.T.H, Calmettes, C, Doucet, N.
Deposit date:2020-02-13
Release date:2021-08-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Perturbing dimer interactions and allosteric communication modulates the immunosuppressive activity of human galectin-7.
J.Biol.Chem., 297, 2021
6S0H
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BU of 6s0h by Molmil
Structure of IMP-13 metallo-beta-lactamase complexed with hydrolysed doripenem
Descriptor: (2~{R},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ...
Authors:Zak, K.M, Softley, C, Kolonko, M, Sattler, M, Popowicz, G.M.
Deposit date:2019-06-14
Release date:2020-04-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure and Molecular Recognition Mechanism of IMP-13 Metallo-beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2020
6FUC
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BU of 6fuc by Molmil
Structure of aminoglycoside phosphotransferase APH(3'')-Id from Streptomyces rimosus ATCC10970
Descriptor: Aminoglycoside phosphotransferase
Authors:Boyko, K.M, Nikolaeva, A.Y, Korzhenevskiy, D.A, Alekseeva, M.G, Mavletova, D.A, Zakharevich, N.V, Rudakova, N.N, Danilenko, V.N, Popov, V.O.
Deposit date:2018-02-26
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Identification, functional and structural characterization of novel aminoglycoside phosphotransferase APH(3′′)-Id from Streptomyces rimosus subsp. rimosus ATCC 10970.
Arch.Biochem.Biophys., 671, 2019
6S7K
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BU of 6s7k by Molmil
Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(2-Methoxy-5-(N-methylsulfamoyl)phenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
Descriptor: FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ...
Authors:Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C.
Deposit date:2019-07-05
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
6S43
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BU of 6s43 by Molmil
Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-(Azocan-1-ylsulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
Descriptor: FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ...
Authors:Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C.
Deposit date:2019-06-26
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
6S60
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BU of 6s60 by Molmil
Crystal structure of hTEAD2 in complex with a trisubstituted pyrazole inhibitor
Descriptor: 4-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]butanoic acid, MYRISTIC ACID, Transcriptional enhancer factor TEF-4
Authors:Sturbaut, M, Allemand, F, Guichou, J.F.
Deposit date:2019-07-02
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a cryptic site at the interface 2 of TEAD - Towards a new family of YAP/TAZ-TEAD inhibitors.
Eur.J.Med.Chem., 226, 2021
6S68
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BU of 6s68 by Molmil
Structure of the Fluorescent Protein AausFP2 from Aequorea cf. australis at pH 7.6
Descriptor: Aequorea cf. australis fluorescent protein 2 (AausFP2)
Authors:Depernet, H, Gotthard, G, Lambert, G.G, Shaner, N.C, Royant, A.
Deposit date:2019-07-02
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Aequorea's secrets revealed: New fluorescent proteins with unique properties for bioimaging and biosensing.
Plos Biol., 18, 2020
6GE4
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BU of 6ge4 by Molmil
TEAD4 (216-434);E263A COMPLEXED WITH YAP PEPTIDE (60-100) AND MYRISTOATE (COVALENTLY BOUND) AT 1.97A (P41212 CRYSTAL FORM); MYRISTOYLATION WAS DONE BY ADDING MYR-COA
Descriptor: MYRISTIC ACID, Transcriptional coactivator YAP1, Transcriptional enhancer factor TEF-3
Authors:Kallen, J.
Deposit date:2018-04-25
Release date:2018-09-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Adaptation of the bound intrinsically disordered protein YAP to mutations at the YAP:TEAD interface.
Protein Sci., 27, 2018

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PDB entries from 2024-08-21

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