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5DFI
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BU of 5dfi by Molmil
Human APE1 phosphorothioate substrate complex
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(OMC)P*(48Z)P*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), ...
Authors:Freudenthal, B.D, Wilson, S.H.
Deposit date:2015-08-26
Release date:2015-10-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Capturing snapshots of APE1 processing DNA damage.
Nat.Struct.Mol.Biol., 22, 2015
5DFH
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BU of 5dfh by Molmil
Human APE1 mismatch product complex
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*T)-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
Authors:Freudenthal, B.D, Wilson, S.H.
Deposit date:2015-08-26
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:Capturing snapshots of APE1 processing DNA damage.
Nat.Struct.Mol.Biol., 22, 2015
5CW1
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BU of 5cw1 by Molmil
Proteinase K complexed with 4-iodopyrazole
Descriptor: 4-IODOPYRAZOLE, IODIDE ION, Proteinase K, ...
Authors:Bauman, J.D, Arnold, E.
Deposit date:2015-07-27
Release date:2015-12-30
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Rapid experimental SAD phasing and hot spot identification with halogenated fragments
Iucrj, 3, 2016
5DCG
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BU of 5dcg by Molmil
Crystal Structure of WT Apo Human Glutathione Transferase Pi
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Glutathione S-transferase P, ...
Authors:Parker, L.J, Parker, M.W, Morton, C.J.
Deposit date:2015-08-24
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Visualisation of Organoarsenic Human Glutathione Transferase P1-1 Complexes: Metabolism of Arsenic-based Therapeutics
To Be Published
8T5L
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BU of 8t5l by Molmil
Crystal structure of STING CTD in complex with 2'3'-cGAMP
Descriptor: Stimulator of interferon genes protein, cGAMP
Authors:Li, Y, Li, P, Sun, D.
Deposit date:2023-06-13
Release date:2023-07-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural and Biological Evaluations of a Non-Nucleoside STING Agonist Specific for Human STING A230 Variants.
Biorxiv, 2023
5DFP
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BU of 5dfp by Molmil
Crystal structure of PAK1 in complex with an inhibitor compound FRAX1036
Descriptor: 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, DIMETHYL SULFOXIDE, Serine/threonine-protein kinase PAK 1
Authors:Maksimoska, J, Marmorstein, R, Wang, W.
Deposit date:2015-08-27
Release date:2016-01-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
2CCK
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BU of 2cck by Molmil
CRYSTAL STRUCTURE OF UNLIGANDED S. AUREUS THYMIDYLATE KINASE
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, THYMIDYLATE KINASE
Authors:Kotaka, M, Dhaliwal, B, Ren, J, Nichols, C.E, Angell, R, Lockyer, M, Hawkins, A.R, Stammers, D.K.
Deposit date:2006-01-16
Release date:2006-03-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structures of S. Aureus Thymidylate Kinase Reveal an Atypical Active Site Configuration and an Intermediate Conformational State Upon Substrate Binding
Protein Sci., 15, 2006
5DG0
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BU of 5dg0 by Molmil
Human APE1 phosphorothioate substrate complex with Mn2+
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(OMC)P*(48Z)P*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), ...
Authors:Freudenthal, B.D, Wilson, S.H.
Deposit date:2015-08-27
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Capturing snapshots of APE1 processing DNA damage.
Nat.Struct.Mol.Biol., 22, 2015
5DJL
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BU of 5djl by Molmil
Structure of WT Human Glutathione Transferase in complex with cisplatin in the presence of glutathione.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CARBONATE ION, ...
Authors:Parker, L.J.
Deposit date:2015-09-02
Release date:2016-11-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A structure-based mechanism of cisplatin resistance mediated by Glutathione Transferase P1-1
Proc.Natl.Acad.Sci.USA, 2019
5DAI
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BU of 5dai by Molmil
Proliferating cell nuclear antigen homolog 1 bound to FEN-1 peptide
Descriptor: C-terminus of FEN-1 protein, DNA polymerase sliding clamp 1, SULFATE ION
Authors:Ladner, J.E, Altieri, A.S, Kelman, Z.
Deposit date:2015-08-20
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:A small protein inhibits proliferating cell nuclear antigen by breaking the DNA clamp.
Nucleic Acids Res., 44, 2016
2PTA
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BU of 2pta by Molmil
PANDINUS TOXIN K-A (PITX-KA) FROM PANDINUS IMPERATOR, NMR, 20 STRUCTURES
Descriptor: PANDINUS TOXIN K-ALPHA
Authors:Tenenholz, T.C, Rogowski, R.S, Collins, J.H, Blaustein, M.P, Weber, D.J.
Deposit date:1996-11-26
Release date:1997-12-10
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure for Pandinus toxin K-alpha (PiTX-K alpha), a selective blocker of A-type potassium channels.
Biochemistry, 36, 1997
8SLV
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BU of 8slv by Molmil
Structure of a salivary alpha-glucosidase from the mosquito vector Aedes aegypti.
Descriptor: 1,3-PROPANDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gittis, A.G, Williams, A.E, Garboczi, D, Calvo, E.
Deposit date:2023-04-24
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural and functional comparisons of salivary alpha-glucosidases from the mosquito vectors Aedes aegypti, Anopheles gambiae, and Culex quinquefasciatus.
Insect Biochem.Mol.Biol., 167, 2024
5DFF
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BU of 5dff by Molmil
Human APE1 product complex
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Freudenthal, B.D, Wilson, S.H.
Deposit date:2015-08-26
Release date:2015-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Capturing snapshots of APE1 processing DNA damage.
Nat.Struct.Mol.Biol., 22, 2015
5D1K
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BU of 5d1k by Molmil
Crystal Structure of UbcH5B in Complex with the RING-U5BR Fragment of AO7
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase RNF25, ...
Authors:Liang, Y.-H, Li, S, Weissman, A.M, Ji, X.
Deposit date:2015-08-04
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Insights into Ubiquitination from the Unique Clamp-like Binding of the RING E3 AO7 to the E2 UbcH5B.
J.Biol.Chem., 290, 2015
8STY
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BU of 8sty by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI60
Descriptor: 3C-like proteinase nsp5, benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.4]nonane-2-carboxylate
Authors:Blankenship, L.B, Liu, W.R.
Deposit date:2023-05-11
Release date:2023-08-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
8SSY
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BU of 8ssy by Molmil
Room-temperature X-ray structure of Thermus thermophilus serine hydroxymethyltransferase (SHMT) bound with D-Ser in a pseudo-Michaelis complex
Descriptor: D-SERINE, SULFATE ION, Serine hydroxymethyltransferase
Authors:Drago, V.N, Kovalevsky, A.
Deposit date:2023-05-09
Release date:2023-08-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Revealing protonation states and tracking substrate in serine hydroxymethyltransferase with room-temperature X-ray and neutron crystallography.
Commun Chem, 6, 2023
5DD0
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BU of 5dd0 by Molmil
Crystal structures in an anti-HIV antibody lineage from immunization of Rhesus macaques
Descriptor: ANTI-HIV ANTIBODY DH570 FAB HEAVY CHAIN, ANTI-HIV ANTIBODY DH570 FAB HEAVY LIGHT, oligo peptide
Authors:Zhang, R, Verkoczy, L, Wiehe, K, Alam, S.M, Nicely, N.I, Santra, S, Bradley, T, Pemble, C, Gao, F, Montefiori, D.C, Bouton-Verville, H, Kelsoe, G, Parks, R, Foulger, A, Tomaras, G, Keple, T.B, Moody, M.A, Liao, H.-X, Haynes, B.F.
Deposit date:2015-08-24
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.488 Å)
Cite:Initiation of immune tolerance-controlled HIV gp41 neutralizing B cell lineages.
Sci Transl Med, 8, 2016
8STZ
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BU of 8stz by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37
Descriptor: 3C-like proteinase nsp5, benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.5]decane-2-carboxylate
Authors:Blankenship, L.B, Liu, W.R.
Deposit date:2023-05-11
Release date:2023-08-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
5DG1
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BU of 5dg1 by Molmil
Sugar binding protein - human galectin-2
Descriptor: Galectin-2, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y, Si, Y.L.
Deposit date:2015-08-27
Release date:2016-09-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Human galectin-2 interacts with carbohydrates and peptides non-classically: new insight from X-ray crystallography and hemagglutination.
Acta Biochim.Biophys.Sin., 2016
5DRR
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BU of 5drr by Molmil
Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-058 complex
Descriptor: 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
Authors:Lee, C.-J, Najeeb, J, Zhou, P.
Deposit date:2015-09-16
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Drug design from the cryptic inhibitor envelope.
Nat Commun, 7, 2016
5DSA
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BU of 5dsa by Molmil
Crystal structure of Holliday junctions stabilized by 5-methylcytosine in GCC junction core
Descriptor: 5'-D(*CP*CP*GP*GP*CP*GP*5CMP*CP*GP*G)-3', CALCIUM ION
Authors:Vander Zanden, C.M, Ho, P.S.
Deposit date:2015-09-17
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6896 Å)
Cite:Effect of Hydroxymethylcytosine on the Structure and Stability of Holliday Junctions.
Biochemistry, 55, 2016
5DT9
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BU of 5dt9 by Molmil
Crystal structure of a putative D-Erythronate-4-Phosphate Dehydrogenase from Vibrio cholerae
Descriptor: CHLORIDE ION, Erythronate-4-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Stogios, P.J, Skarina, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-09-17
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.663 Å)
Cite:Crystal structure of a putative D-Erythronate-4-Phosphate Dehydrogenase from Vibrio cholerae
To Be Published
8PEM
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BU of 8pem by Molmil
Zika Methyltransferase in complex with AT-9010 and SAH
Descriptor: MAGNESIUM ION, RNA-directed RNA polymerase NS5, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Krejcova, K, Boura, E, Klima, M.
Deposit date:2023-06-14
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Zika Methyltransferase in complex with AT-9010 and SAH
to be published
5DSB
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BU of 5dsb by Molmil
Crystal structure of Holliday junctions stabilized by 5-hydroxymethylcytosine in GCC junction core
Descriptor: 5'-D(*CP*CP*GP*GP*CP*GP*5HCP*CP*GP*G)-3', CALCIUM ION
Authors:Vander Zanden, C.M, Rowe, R.K, Broad, A.J, Ho, P.S.
Deposit date:2015-09-17
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4959 Å)
Cite:Effect of Hydroxymethylcytosine on the Structure and Stability of Holliday Junctions.
Biochemistry, 55, 2016
5DRI
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BU of 5dri by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-hydroxy-4-(1H-indol-5-yl)-4-oxobut-2-enoic acid inhibitor
Descriptor: (2Z)-2-hydroxy-4-(1H-indol-5-yl)-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G
Authors:Krieger, I.V, Huang, H.-L, Sacchettini, J.C.
Deposit date:2015-09-15
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016

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