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8QWP
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BU of 8qwp by Molmil
Structure of p53 cancer mutant Y236C
Descriptor: 1,2-ETHANEDIOL, Cellular tumor antigen p53, L(+)-TARTARIC ACID, ...
Authors:Balourdas, D.I, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2023-10-19
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of p53 inactivation by cavity-creating cancer mutations and its implications for the development of mutant p53 reactivators.
Cell Death Dis, 15, 2024
6B2G
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BU of 6b2g by Molmil
P38A mutant of HIV-1 capsid protein
Descriptor: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-09-20
Release date:2018-09-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.407 Å)
Cite:Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
5U1H
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BU of 5u1h by Molmil
Crystal structure of the C-terminal peptidoglycan binding domain of OprF (PA1777) from Pseudomonas aeruginosa
Descriptor: (2R,6S)-2-amino-6-(carboxyamino)-7-{[(1R)-1-carboxyethyl]amino}-7-oxoheptanoic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Watanabe, N, Stogios, P.J, Skarina, T, Wawrzak, Z, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-11-28
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the C-terminal peptidoglycan binding domain of OprF (PA1777) from Pseudomonas aeruginosa
To be published
6PHR
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BU of 6phr by Molmil
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 5-[(3-aminopropyl)amino]pentane-1-thiol
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(3-aminopropyl)amino]pentane-1-thiol, Acetylpolyamine amidohydrolase, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2019-06-25
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019
7PSF
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BU of 7psf by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Imipenem
Descriptor: 1-BUTANOL, BROMIDE ION, Beta-lactamase, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-09-23
Release date:2022-10-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
5UDC
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BU of 5udc by Molmil
Crystal Structure of RSV F A2 Bound to MEDI8897
Descriptor: CHLORIDE ION, Fusion glycoprotein F0, MEDI8897 Fab Heavy Chain, ...
Authors:McLellan, J.S.
Deposit date:2016-12-26
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:A highly potent extended half-life antibody as a potential RSV vaccine surrogate for all infants.
Sci Transl Med, 9, 2017
5FXF
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BU of 5fxf by Molmil
Crystal structure of eugenol oxidase in complex with benzoate
Descriptor: BENZOIC ACID, EUGENOL OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Nguyen, Q.-T, de Gonzalo, G, Binda, C, Martinez, A.R, Mattevi, A, Fraaije, M.W.
Deposit date:2016-03-01
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Biocatalytic Properties and Structural Analysis of Eugenol Oxidase from Rhodococcus Jostii Rha1: A Versatile Oxidative Biocatalyst.
Chembiochem, 17, 2016
6JG6
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BU of 6jg6 by Molmil
Crystal structure of barley exohydrolaseI W286A mutant in complex with methyl 6-thio-beta-gentiobioside
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, GLYCEROL, ...
Authors:Luang, S, Streltsov, V.A, Hrmova, M.
Deposit date:2019-02-13
Release date:2020-08-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
7KGV
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BU of 7kgv by Molmil
Crystal structure of sodium-coupled neutral amino acid transporter SLC38A9 in the N-terminal plugged form
Descriptor: Monoclonal antibody Fab heavy chain, Monoclonal antibody Fab light chain, Sodium-coupled neutral amino acid transporter 9
Authors:Lei, H, Mu, X, Hattne, J, Gonen, T.
Deposit date:2020-10-19
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:A conformational change in the N terminus of SLC38A9 signals mTORC1 activation.
Structure, 29, 2021
8RF5
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BU of 8rf5 by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11A7 refined against the anomalous diffraction data
Descriptor: 6-fluoro-1,3-benzothiazol-2-amine, Host translation inhibitor nsp1
Authors:Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
Deposit date:2023-12-12
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024
5FQO
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BU of 5fqo by Molmil
Crystal structure of M. musculus protein arginine methyltransferase PRMT6 with SAH and magnesium
Descriptor: MAGNESIUM ION, PROTEIN ARGININE N-METHYLTRANSFERASE 6, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Bonnefond, L, Cavarelli, J.
Deposit date:2015-12-14
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Crystal Strcutures of Prmt6 in Complex with Sah in Alternative Conformations
To be Published
6YQD
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BU of 6yqd by Molmil
Human histidine triad nucleotide-binding protein 2 (hHINT2) refined to 1.41 A in P212121 space group
Descriptor: Histidine triad nucleotide-binding protein 2, mitochondrial, POTASSIUM ION
Authors:Dolot, R.D, Wlodarczyk, A, Bujacz, G.D, Nawrot, B.C.
Deposit date:2020-04-16
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.407 Å)
Cite:Biochemical, crystallographic and biophysical characterization of histidine triad nucleotide-binding protein 2 with different ligands including a non-hydrolyzable analog of Ap4A.
Biochim Biophys Acta Gen Subj, 1865, 2021
6ETC
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BU of 6etc by Molmil
Crystal Structure of Human gamma-D-crystallin Mutant P23T+R36S at 1.2 Angstroms Resolution
Descriptor: Gamma-crystallin D
Authors:Khan, A.R, McManus, J.
Deposit date:2017-10-26
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.197 Å)
Cite:Temperature-Dependent Interactions Explain Normal and Inverted Solubility in a gamma D-Crystallin Mutant.
Biophys.J., 117, 2019
7PRK
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BU of 7prk by Molmil
Factor XII Fibronectin type II (FXII FnII) domain
Descriptor: Coagulation factor XII, FORMIC ACID, ZINC ION
Authors:Kaira, B.G, Emsley, J.
Deposit date:2021-09-21
Release date:2022-10-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Factor XII Fibronectin type II (FXII FnII) domain
To Be Published
8R4Z
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BU of 8r4z by Molmil
Crystal structure of alpha keto acid C-methyl-transferases MrsA native-form
Descriptor: 2-ketoarginine methyltransferase, MAGNESIUM ION
Authors:Gerhardt, S, Kemper, F, Andexer, J.N.
Deposit date:2023-11-15
Release date:2024-07-03
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structures and Protein Engineering of the alpha-Keto Acid C-Methyltransferases SgvM and MrsA for Rational Substrate Transfer.
Chembiochem, 2024
5FK1
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BU of 5fk1 by Molmil
SAM-I riboswitch bearing the H. marismortui Kt-7 variant 3bn is UG
Descriptor: BARIUM ION, S-ADENOSYLMETHIONINE, SAM-I RIBOSWITCH, ...
Authors:Huang, L, Lilley, D.M.J.
Deposit date:2015-10-14
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Critical Base Pair in K-Turns Determines the Conformational Class Adopted, and Correlates with Biological Function.
Nucleic Acids Res., 44, 2016
5FT1
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BU of 5ft1 by Molmil
Crystal structure of gp37(Dip) from bacteriophage phiKZ bound to RNase E of Pseudomonas aeruginosa
Descriptor: GP37, RIBONUCLEASE E
Authors:Van den Bossche, A, Hardwick, S.W, Ceyssens, P.J, Hendrix, H, Voet, M, Dendooven, T, Bandyra, K.J, De Maeyer, M, Aertsen, A, Noben, J.P, Luisi, B.F, Lavigne, R.
Deposit date:2016-01-08
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural elucidation of a novel mechanism for the bacteriophage-based inhibition of the RNA degradosome.
Elife, 5, 2016
5U1Q
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BU of 5u1q by Molmil
Grb7-SH2 with bicyclic peptide inhibitor
Descriptor: CHLORIDE ION, Growth factor receptor-bound protein 7, LYS-PHE-GLU-GLY-TYR-ASP-ASN-GLU-CST
Authors:Watson, G.M, Wilce, M.C.J, Wilce, J.A.
Deposit date:2016-11-28
Release date:2017-11-15
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery, Development, and Cellular Delivery of Potent and Selective Bicyclic Peptide Inhibitors of Grb7 Cancer Target.
J. Med. Chem., 60, 2017
8RJ9
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BU of 8rj9 by Molmil
E. coli adenylate kinase Asp84Ala variant in complex with two ADP molecules as a result of enzymatic AP4A hydrolysis.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
Authors:Tischlik, S, Ronge, P, Wolf-Watz, M, Sauer-Eriksson, A.E.
Deposit date:2023-12-20
Release date:2024-07-10
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Magnesium induced structural reorganization in the active site of adenylate kinase.
Sci Adv, 10, 2024
7KX3
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BU of 7kx3 by Molmil
SpeG Spermidine N-acetyltransferase F149G mutant from Vibrio cholerae
Descriptor: Spermidine N(1)-acetyltransferase
Authors:Le, V.T.B, Tsimbalyuk, S, Lim, E.Q, Solis, A, Gawat, D, Boeck, P, Renolo, R, Forwood, J.K, Kuhn, M.L.
Deposit date:2020-12-03
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:The Vibrio cholerae SpeG Spermidine/Spermine N -Acetyltransferase Allosteric Loop and beta 6-beta 7 Structural Elements Are Critical for Kinetic Activity.
Front Mol Biosci, 8, 2021
6Y2T
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BU of 6y2t by Molmil
Streptavidin wildtype with a biotC4-1 cofactor - an artificial iron hydroxylase
Descriptor: GLYCEROL, Streptavidin, biotC4-1 cofactor
Authors:Serrano-Plana, J, Rumo, C, Rebelein, J.G, Peterson, R.L, Barnet, M, Ward, T.R.
Deposit date:2020-02-17
Release date:2020-07-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Enantioselective Hydroxylation of Benzylic C(sp3)-H Bonds by an Artificial Iron Hydroxylase Based on the Biotin-Streptavidin Technology.
J.Am.Chem.Soc., 142, 2020
6P8S
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BU of 6p8s by Molmil
Structure of P. aeruginosa ATCC27853 HORMA1:HORMA2:Peptide 1 complex
Descriptor: ACETATE ION, CHLORIDE ION, HORMA domain containing protein, ...
Authors:Ye, Q, Corbett, K.D.
Deposit date:2019-06-07
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:HORMA Domain Proteins and a Trip13-like ATPase Regulate Bacterial cGAS-like Enzymes to Mediate Bacteriophage Immunity.
Mol.Cell, 77, 2020
6EU7
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BU of 6eu7 by Molmil
Structure of the arsenite-bound form of AioX from Rhizobium sp. str. NT-26
Descriptor: Putative periplasmic phosphite-binding-like protein (Pbl) PtxB-like protein designated AioX
Authors:Djordjevic, S, Badilla, C, Cole, A, Santini, J.
Deposit date:2017-10-28
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:A new family of periplasmic-binding proteins that sense arsenic oxyanions.
Sci Rep, 8, 2018
8A65
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BU of 8a65 by Molmil
Small molecule stabilizer (compound 3) for FOXO1 and 14-3-3
Descriptor: (3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide, 14-3-3 protein sigma, Forkhead box protein O1, ...
Authors:Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R.
Deposit date:2022-06-16
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
7POA
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BU of 7poa by Molmil
An Irreversible, Promiscuous and Highly Thermostable Claisen-Condensation Biocatalyst Drives the Synthesis of Substituted Pyrroles
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Basle, A, Ashley, B, Campopiano, D, Marles-Wright, J.
Deposit date:2021-09-08
Release date:2022-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Versatile Chemo-Biocatalytic Cascade Driven by a Thermophilic and Irreversible C-C Bond-Forming alpha-Oxoamine Synthase.
Acs Sustain Chem Eng, 11, 2023

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PDB entries from 2024-08-28

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