3TM1
 
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3U3H
 | | X-Ray Crystallographic Analysis of D-Xylose Isomerase-Catalyzed Isomerization of (R)-Glyceraldehyde | | Descriptor: | (2R)-propane-1,1,2,3-tetrol, (4R)-2-METHYLPENTANE-2,4-DIOL, FORMIC ACID, ... | | Authors: | Allen, K.N, Silvaggi, N.R, Toteva, M.M, Richard, J.P. | | Deposit date: | 2011-10-05 | | Release date: | 2011-10-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Binding Energy and Catalysis by d-Xylose Isomerase: Kinetic, Product, and X-ray Crystallographic Analysis of Enzyme-Catalyzed Isomerization of (R)-Glyceraldehyde.
Biochemistry, 50, 2011
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6QCD
 | | Human Sirt6 in complex with ADP-ribose and the activator quercetin | | Descriptor: | 1,2-ETHANEDIOL, 3,5,7,3',4'-PENTAHYDROXYFLAVONE, NAD-dependent protein deacetylase sirtuin-6, ... | | Authors: | You, W, Steegborn, C. | | Deposit date: | 2018-12-27 | | Release date: | 2019-12-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
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6ZL4
 | | the structure of glutamate transporter homologue GltTk in complex with the photo switchable compound (cis) | | Descriptor: | (2~{S},3~{S})-2-azanyl-3-[[4-[2-(4-methoxyphenyl)hydrazinyl]phenyl]methoxy]butanedioic acid, DECYL-BETA-D-MALTOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Arkhipova, V, Slotboom, D.J, Guskov, A. | | Deposit date: | 2020-06-30 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Aspects of Photopharmacology: Insight into the Binding of Photoswitchable and Photocaged Inhibitors to the Glutamate Transporter Homologue.
J.Am.Chem.Soc., 143, 2021
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7QI3
 | | Structure of Fusarium verticillioides NAT1 (FDB2) N-malonyltransferase | | Descriptor: | 1,2-ETHANEDIOL, Arylamine N-acetyltransferase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Lowe, E.D, Kotomina, E, Karagianni, E, Boukouvala, S. | | Deposit date: | 2021-12-14 | | Release date: | 2022-11-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fusarium verticillioides NAT1 (FDB2) N-malonyltransferase is structurally, functionally and phylogenetically distinct from its N-acetyltransferase (NAT) homologues.
Febs J., 290, 2023
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6TMY
 | | Crystal structure of isoform CBd of the basic phospholipase A2 subunit of crotoxin from Crotalus durissus terrificus | | Descriptor: | CHLORIDE ION, Phospholipase A2 crotoxin basic subunit CBc, SODIUM ION, ... | | Authors: | Nemecz, D, Ostrowski, M, Saul, F.A, Faure, G. | | Deposit date: | 2019-12-05 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Isoform CBd of the Basic Phospholipase A 2 Subunit of Crotoxin: Description of the Structural Framework of CB for Interaction with Protein Targets.
Molecules, 25, 2020
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5VPY
 | | Crystal structure of human KRAS G12A mutant in complex with GppNHp | | Descriptor: | 2-amino-9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-L-xylofuranosyl}-1,9-dihydro-6H-purin-6-one, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. | | Deposit date: | 2017-05-06 | | Release date: | 2017-12-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras.
Acta Crystallogr D Struct Biol, 73, 2017
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5VXO
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5VR4
 | | RNA octamer containing 2'-F-4'-OMe U. | | Descriptor: | COBALT TETRAAMMINE ION, RNA (5'-R(*CP*GP*AP*AP*(UMO)P*UP*CP*G)-3') | | Authors: | Harp, J.M, Egli, M. | | Deposit date: | 2017-05-10 | | Release date: | 2017-10-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | 4'-C-Methoxy-2'-deoxy-2'-fluoro Modified Ribonucleotides Improve Metabolic Stability and Elicit Efficient RNAi-Mediated Gene Silencing.
J. Am. Chem. Soc., 139, 2017
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6ZIS
 | | Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide, TETRAETHYLENE GLYCOL, ... | | Authors: | Southall, S.M. | | Deposit date: | 2020-06-26 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structure-Based Drug Discovery ofN-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of Migraine.
J.Med.Chem., 63, 2020
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5VDV
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6Q4R
 | | High-resolution crystal structure of ERAP1 with bound phosphinic transition-state analogue inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Giastas, P, Neu, M, Rowland, P, Stratikos, E. | | Deposit date: | 2018-12-06 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | High-Resolution Crystal Structure of Endoplasmic Reticulum Aminopeptidase 1 with Bound Phosphinic Transition-State Analogue Inhibitor.
Acs Med.Chem.Lett., 10, 2019
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5VHD
 | | DHX36 with an N-terminal truncation bound to ADP-AlF4 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DEAH (Asp-Glu-Ala-His) box polypeptide 36, TETRAFLUOROALUMINATE ION | | Authors: | Chen, M, Ferre-D'Amare, A. | | Deposit date: | 2017-04-13 | | Release date: | 2018-06-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural basis of G-quadruplex unfolding by the DEAH/RHA helicase DHX36.
Nature, 558, 2018
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7QJR
 | | Crystal structure of cutinase 1 from Thermobifida fusca DSM44342 (703) | | Descriptor: | Cutinase 1, TETRAETHYLENE GLYCOL | | Authors: | Zahn, M, Avilan, L, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2021-12-17 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity
Nat Commun, 13, 2022
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7QKB
 | | Crystal structure of human Cathepsin L in complex with covalently bound GC376 | | Descriptor: | CHLORIDE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | | Deposit date: | 2021-12-17 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
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3H3R
 | | Crystal structure of the CERT START domain in complex with HPA-14 | | Descriptor: | Goodpasture antigen binding protein, N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide | | Authors: | Kudo, N, Wakatsuki, S, Kato, R. | | Deposit date: | 2009-04-17 | | Release date: | 2010-03-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structures of the CERT START domain with inhibitors provide insights into the mechanism of ceramide transfer.
J.Mol.Biol., 396, 2010
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5VMK
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7QJT
 | | Crystal structure of a cutinase enzyme from Thermobifida cellulosilytica TB100 (711) | | Descriptor: | GLYCEROL, MAGNESIUM ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Zahn, M, Shakespeare, T.J, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2021-12-17 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity
Nat Commun, 13, 2022
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3H51
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7QJP
 | | Crystal structure of a cutinase enzyme from Saccharopolyspora flava (611) | | Descriptor: | Cutinase, TETRAETHYLENE GLYCOL | | Authors: | Zahn, M, Avilan, L, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2021-12-17 | | Release date: | 2022-12-28 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.561 Å) | | Cite: | Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity
Nat Commun, 13, 2022
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7QJS
 | | Crystal structure of a cutinase enzyme from Thermobifida fusca YX (705) | | Descriptor: | Cutinase 2, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Zahn, M, Shakespeare, T.J, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2021-12-17 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.429 Å) | | Cite: | Sourcing thermotolerant poly(ethylene terephthalate) hydrolase scaffolds from natural diversity
Nat Commun, 13, 2022
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7QOX
 | | Factor XI and Plasma Kallikrein apple domain structures reveals different kininogen bound complexes | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | | Authors: | Li, C, Awital, B, Wong, S, Dreveny, I, Meijers, J, Emsley, J. | | Deposit date: | 2021-12-29 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI.
J Thromb Haemost, 17, 2019
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1M6E
 | | CRYSTAL STRUCTURE OF SALICYLIC ACID CARBOXYL METHYLTRANSFERASE (SAMT) | | Descriptor: | 2-HYDROXYBENZOIC ACID, LUTETIUM (III) ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Zubieta, C, Ross, J.R, Koscheski, P, Yang, Y, Pichersky, E, Noel, J.P. | | Deposit date: | 2002-07-16 | | Release date: | 2003-09-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Basis for Substrate Recognition in The Salicylic Acid Carboxyl Methyltransferase Family
Plant Cell, 15, 2003
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6ZHO
 | | Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Southall, S.M. | | Deposit date: | 2020-06-23 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Based Drug Discovery ofN-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of Migraine.
J.Med.Chem., 63, 2020
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3H9P
 | | Crystal structure of putative triphosphoribosyl-dephospho-coA synthase from Archaeoglobus fulgidus | | Descriptor: | CHLORIDE ION, GLYCEROL, TETRAETHYLENE GLYCOL, ... | | Authors: | Chang, C, Wu, R, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-04-30 | | Release date: | 2009-05-19 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of putative triphosphoribosyl-dephospho-coA synthase from Archaeoglobus fulgidus
To be Published
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