6SKS
 
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5FHN
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5T9G
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3DSZ
 | | Engineered human lipocalin 2 in complex with Y-DTPA | | Descriptor: | N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-N-{(2R)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine, YTTRIUM (III) ION, engineered human lipocalin 2 | | Authors: | Eichinger, A, Skerra, A. | | Deposit date: | 2008-07-14 | | Release date: | 2009-05-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High-affinity recognition of lanthanide(III) chelate complexes by a reprogrammed human lipocalin 2
J.Am.Chem.Soc., 131, 2009
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8XJI
 | | Structure of chimeric RyR complex with flubendiamide | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ... | | Authors: | Lin, L, Wang, C, Wang, W, Jiang, H, Yuchi, Z. | | Deposit date: | 2023-12-21 | | Release date: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.91 Å) | | Cite: | Cryo-EM structures of ryanodine receptors and diamide insecticides reveal the mechanisms of selectivity and resistance.
Nat Commun, 15, 2024
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7YAG
 | | CryoEM structure of SPCA1a in E1-Ca-AMPPCP state subclass 1 | | Descriptor: | CALCIUM ION, Calcium-transporting ATPase type 2C member 1, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Chen, Z, Watanabe, S, Inaba, K. | | Deposit date: | 2022-06-28 | | Release date: | 2023-03-22 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structures of human SPCA1a reveal the mechanism of Ca 2+ /Mn 2+ transport into the Golgi apparatus.
Sci Adv, 9, 2023
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7RYN
 | | CD1a-sulfatide-gdTCR complex | | Descriptor: | (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wegrecki, M, Le Nours, J, Rossjohn, J. | | Deposit date: | 2021-08-25 | | Release date: | 2022-05-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Atypical sideways recognition of CD1a by autoreactive gamma delta T cell receptors.
Nat Commun, 13, 2022
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5DUI
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3DYL
 | | human phosphdiesterase 9 substrate complex (ES complex) | | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, CYCLIC GUANOSINE MONOPHOSPHATE, FORMIC ACID, ... | | Authors: | Liu, S, Mansour, M.N, Dillman, K, Perez, J, Danley, D, Menniti, F. | | Deposit date: | 2008-07-28 | | Release date: | 2008-09-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for the catalytic mechanism of human phosphodiesterase 9.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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7YAJ
 | | CryoEM structure of SPCA1a in E1-Mn-AMPPCP state subclass 1 | | Descriptor: | Calcium-transporting ATPase type 2C member 1, MANGANESE (II) ION, Nanobody head piece of megabody, ... | | Authors: | Chen, Z, Watanabe, S, Inaba, K. | | Deposit date: | 2022-06-28 | | Release date: | 2023-03-22 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Cryo-EM structures of human SPCA1a reveal the mechanism of Ca 2+ /Mn 2+ transport into the Golgi apparatus.
Sci Adv, 9, 2023
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2PS7
 | | Y295F trichodiene synthase | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Trichodiene synthase | | Authors: | Vedula, L.S, Cane, D.E, Christianson, D.W. | | Deposit date: | 2007-05-04 | | Release date: | 2007-12-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural and mechanistic analysis of trichodiene synthase using site-directed mutagenesis: probing the catalytic function of tyrosine-295 and the asparagine-225/serine-229/glutamate-233-Mg2+B motif.
Arch.Biochem.Biophys., 469, 2008
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5DYK
 | | Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum - Apo form | | Descriptor: | 1,2-ETHANEDIOL, CGMP-dependent protein kinase, GLYCEROL, ... | | Authors: | Wernimont, A.K, Tempel, W, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-09-24 | | Release date: | 2015-11-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
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9GMQ
 | | Crystal structure of the Mpro of SARS COV-2 in complex with the MG-87 inhibitor | | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, ~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | Authors: | El Kilani, H, Hilgenfeld, R. | | Deposit date: | 2024-08-29 | | Release date: | 2025-01-29 | | Last modified: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structure-Based Optimization of Pyridone alpha-Ketoamides as Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 68, 2025
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6M65
 | | Crystal structure of Mycobacterium smegmatis MutT1 in complex with GMPPNP (GDP) | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Raj, P, Karthik, S, Arif, S.M, Varshney, U, Vijayan, M. | | Deposit date: | 2020-03-13 | | Release date: | 2020-10-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Plasticity, ligand conformation and enzyme action of Mycobacterium smegmatis MutT1.
Acta Crystallogr D Struct Biol, 76, 2020
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8JCR
 | | Crystal structure of Calotropain FI from Calotropis gigantea (pH 6.0) | | Descriptor: | GLYCEROL, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, Procerain, ... | | Authors: | Kumar, A, Jamdar, S.N, Srivastava, G, Makde, R.D. | | Deposit date: | 2023-05-11 | | Release date: | 2024-05-22 | | Last modified: | 2025-04-23 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal Structure of Papain-Like Cysteine Protease, Calotropain FI, Purified from the Latex of Calotropis gigantea.
J.Agric.Food Chem., 73, 2025
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8JCQ
 | | Crystal structure of calotropain FI from Calotropis gigantea | | Descriptor: | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, Procerain | | Authors: | Kumar, A, Jamdar, S.N, Srivastava, G, Makde, R.D. | | Deposit date: | 2023-05-11 | | Release date: | 2024-05-22 | | Last modified: | 2025-04-23 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Crystal Structure of Papain-Like Cysteine Protease, Calotropain FI, Purified from the Latex of Calotropis gigantea.
J.Agric.Food Chem., 73, 2025
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7GIJ
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-5d65ec79-1 (Mpro-P0097) | | Descriptor: | (4S)-6-chloro-4-[2-(dimethylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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1O13
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4YD3
 | | Endothiapepsin in complex with fragment 224 | | Descriptor: | 2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Stieler, M, Heine, A, Klebe, G. | | Deposit date: | 2015-02-20 | | Release date: | 2016-03-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.248 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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3DKG
 | | Structure of Mutant(Y1248L) MET receptor tyrosine kinase in complex with inhibitor SGX-523 | | Descriptor: | 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline, CHLORIDE ION, Hepatocyte growth factor receptor | | Authors: | Hendle, J. | | Deposit date: | 2008-06-24 | | Release date: | 2009-07-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | SGX523 is an exquisitely selective, ATP-competitive inhibitor of the MET receptor tyrosine kinase with antitumor activity in vivo.
Mol.Cancer Ther., 8, 2009
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6GL0
 | | Structure of ZgEngAGH5_4 in complex with a cellotriose | | Descriptor: | Endoglucanase, family GH5, MAGNESIUM ION, ... | | Authors: | Dorival, J, Ruppert, S, Gunnoo, M, Orlowski, A, Chapelais, M, Dabin, J, Labourel, A, Thompson, D, Michel, G, Czjzek, M, Genicot, S. | | Deposit date: | 2018-05-22 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The laterally acquired GH5ZgEngAGH5_4from the marine bacteriumZobellia galactanivoransis dedicated to hemicellulose hydrolysis.
Biochem. J., 475, 2018
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4L89
 | | Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with covalently bound CoA | | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, SULFATE ION, ... | | Authors: | Majorek, K.A, Chruszcz, M, Maclean, E, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-06-16 | | Release date: | 2013-07-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural, functional, and inhibition studies of a Gcn5-related N-acetyltransferase (GNAT) superfamily protein PA4794: a new C-terminal lysine protein acetyltransferase from pseudomonas aeruginosa.
J.Biol.Chem., 288, 2013
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8IUE
 | | RNA polymerase III pre-initiation complex melting complex 1 | | Descriptor: | DNA (74-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ... | | Authors: | Hou, H, Jin, Q, Ren, Y, Wang, Q, Xu, Y. | | Deposit date: | 2023-03-24 | | Release date: | 2023-05-24 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structure of the SNAPc-bound RNA polymerase III preinitiation complex.
Cell Res., 33, 2023
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4GKZ
 | | HA1.7, a MHC class II restricted TCR specific for haemagglutinin | | Descriptor: | 1,2-ETHANEDIOL, Alpha chain of Class II TCR, Beta Chain of Class II TCR, ... | | Authors: | Holland, C.J, Rizkallah, P.J, Cole, D.K, Sewell, A.K, Godkin, A.J. | | Deposit date: | 2012-08-13 | | Release date: | 2012-11-07 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Minimal conformational plasticity enables TCR cross-reactivity to different MHC class II heterodimers.
Sci Rep, 2, 2012
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7S6H
 | | Human PARP1 deltaV687-E688 bound to NAD+ analog EB-47 and to a DNA double strand break. | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, DNA (5'-D(*CP*GP*AP*CP*G)-3'), ... | | Authors: | Rouleau-Turcotte, E, Pascal, J.M. | | Deposit date: | 2021-09-14 | | Release date: | 2022-06-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery.
Mol.Cell, 82, 2022
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