6MYV
 
 | | Sialidase26 co-crystallized with DANA-Gc | | Descriptor: | 2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-L-altro-non-2-enonic acid, Sialidase26 | | Authors: | Zaramela, L.S, Martino, C, Alisson-Silva, F, Rees, S.D, Diaz, S.L, Chuzel, L, Ganatra, M.B, Taron, C.H, Zuniga, C, Huang, J, Siegel, D, Chang, G, Varki, A, Zengler, K. | | Deposit date: | 2018-11-02 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates.
Nat Microbiol, 4, 2019
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8CE2
 | | X-ray structure of the adduct formed upon reaction of a B-DNA double helical dodecamer with dirhodium tetraacetate | | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, ... | | Authors: | Tito, G, Troisi, R, Ferraro, G, Sica, F, Merlino, A. | | Deposit date: | 2023-02-01 | | Release date: | 2023-05-31 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Dirhodium tetraacetate binding to a B-DNA double helical dodecamer probed by X-ray crystallography and mass spectrometry.
Dalton Trans, 52, 2023
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5N4X
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5N5U
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5JP7
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6D32
 | | Crystal structure of Xenopus Smoothened in complex with cyclopamine | | Descriptor: | Cyclopamine, Smoothened,Soluble cytochrome b562,Smoothened | | Authors: | Huang, P, Zheng, S, Kim, Y, Kruse, A.C, Salic, A. | | Deposit date: | 2018-04-14 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.751 Å) | | Cite: | Structural Basis of Smoothened Activation in Hedgehog Signaling.
Cell, 174, 2018
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6SPM
 | | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-(trifluoromethyl)benzoic acid | | Descriptor: | 4-(trifluoromethyl)benzoic acid, DIMETHYL SULFOXIDE, METHANOL, ... | | Authors: | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | | Deposit date: | 2019-09-02 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
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5UGO
 | | DNA polymerase beta nick complex with imidodiphosphate | | Descriptor: | CALCIUM ION, DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3'), ... | | Authors: | Freudenthal, B.D, Wilson, S.H, Beard, W.A. | | Deposit date: | 2017-01-09 | | Release date: | 2017-07-26 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.897 Å) | | Cite: | Modulating the DNA polymerase beta reaction equilibrium to dissect the reverse reaction.
Nat. Chem. Biol., 13, 2017
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6CP3
 | | Monomer yeast ATP synthase (F1Fo) reconstituted in nanodisc with inhibitor of oligomycin bound. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase protein 8, ... | | Authors: | Srivastava, A.P, Luo, M, Symersky, J, Liao, M.F, Mueller, D.M. | | Deposit date: | 2018-03-13 | | Release date: | 2018-04-11 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | High-resolution cryo-EM analysis of the yeast ATP synthase in a lipid membrane.
Science, 360, 2018
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6SQ1
 | | Crystal structure of cAMP-dependent Protein Kinase A (CHO PKA) in complex with Aminofasudil | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine, DIMETHYL SULFOXIDE, ... | | Authors: | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | | Deposit date: | 2019-09-03 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | A crystallographic study of cAMP-dependent Protein Kinase A in complex with different Fasudil-derivatives
To Be Published
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4H7O
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6VZE
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1QO7
 | | Structure of Aspergillus niger epoxide hydrolase | | Descriptor: | EPOXIDE HYDROLASE | | Authors: | Zou, J.-Y, Hallberg, B.M, Bergfors, T, Oesch, F, Arand, M, Mowbray, S.L, Jones, T.A. | | Deposit date: | 1999-11-04 | | Release date: | 2000-02-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of Aspergillus Niger Epoxide Hydrolase at 1.8A Resolution: Implications for the Structure and Function of the Mammalian Microsomal Class of Epoxide Hydrolases
Structure, 8, 2000
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6VZH
 | | Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to LDSM311 | | Descriptor: | (7~{R})-2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7-dimethyl-8-prop-2-ynyl-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, SULFATE ION, ... | | Authors: | dos Reis, C.V, Dutra, L.A, Gama, F, Ferreira, M, Mascarello, A, Azevedo, H, Guimaraes, C, Massirer, K.B, Arruda, P, Edwards, A.M, Counago, R.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-02-28 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure of Human Vaccinia-related Kinase 1 (VRK1) Bound to LDSM311
To be Published
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8OUE
 | | The H/ACA RNP lobe of human telomerase with the dyskerin thumb loop in a semi-closed conformation | | Descriptor: | H/ACA ribonucleoprotein complex subunit 1, H/ACA ribonucleoprotein complex subunit 2, H/ACA ribonucleoprotein complex subunit 3, ... | | Authors: | Ghanim, G.E, Sekne, Z, van Roon, A.M.M, Balch, S, Nguyen, T.H.D. | | Deposit date: | 2023-04-22 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-07 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | 2.7 angstrom cryo-EM structure of human telomerase H/ACA ribonucleoprotein.
Nat Commun, 15, 2024
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8F5O
 | | Structure of Leishmania tarentolae IFT-A (state 1) | | Descriptor: | Intraflagellar transport protein 122 homolog, Intraflagellar transport protein 122B, putative, ... | | Authors: | Zhou, H, Brown, A. | | Deposit date: | 2022-11-14 | | Release date: | 2022-12-21 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Mechanism of IFT-A polymerization into trains for ciliary transport.
Cell, 185, 2022
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7NEL
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2FGX
 | | Solution NMR Structure of Protein Ne2328 from Nitrosomonas europaea. Northeast Structural Genomics Consortium Target NeT3. | | Descriptor: | putative thioredoxin | | Authors: | Eletsky, A, Liu, G, Yee, A, Arrowsmith, C.H, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2005-12-22 | | Release date: | 2006-02-21 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of Nitrosomonas Europaea Hypothetical Protein Ne2328: Northeast Structural Genomics Consortium Target NeT3
To be Published
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3SEM
 | | SEM5 SH3 DOMAIN COMPLEXED WITH PEPTOID INHIBITOR | | Descriptor: | SEX MUSCLE ABNORMAL PROTEIN 5, SH3 PEPTOID INHIBITOR | | Authors: | Nguyen, J.T, Turck, C.W, Cohen, F.E, Zuckermann, R.N, Lim, W.A. | | Deposit date: | 1998-11-02 | | Release date: | 1999-01-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Exploiting the basis of proline recognition by SH3 and WW domains: design of N-substituted inhibitors.
Science, 282, 1998
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7RW7
 | | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 9 | | Descriptor: | (3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Jin, L, Padyana, A.K. | | Deposit date: | 2021-08-19 | | Release date: | 2022-03-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022
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8VEL
 | | IsPETase - ACCCC mutant | | Descriptor: | Poly(ethylene terephthalate) hydrolase, SULFATE ION | | Authors: | Joho, Y, Royan, S, Newton, S, Caputo, A.T, Ardevol Grau, A, Jackson, C. | | Deposit date: | 2023-12-19 | | Release date: | 2024-06-19 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.624 Å) | | Cite: | Enhancing PET Degrading Enzymes: A Combinatory Approach.
Chembiochem, 25, 2024
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6SXT
 | | GH54 a-l-arabinofuranosidase soaked with aziridine inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | McGregor, N.G.S, Davies, G.J, Nin-Hill, A, Rovira, C. | | Deposit date: | 2019-09-26 | | Release date: | 2020-02-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.466 Å) | | Cite: | Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
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8ENB
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8VEK
 | | IsPETase - ACC mutant | | Descriptor: | GLYCEROL, Poly(ethylene terephthalate) hydrolase, SULFATE ION | | Authors: | Joho, Y, Royan, S, Newton, S, Caputo, A.T, Ardevol Grau, A, Jackson, C. | | Deposit date: | 2023-12-19 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Enhancing PET Degrading Enzymes: A Combinatory Approach.
Chembiochem, 25, 2024
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3C4N
 | | Crystal structure of DR_0571 protein from Deinococcus radiodurans in complex with ADP. Northeast Structural Genomics Consortium Target DrR125 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Uncharacterized protein DR_0571 | | Authors: | Forouhar, F, Chen, Y, Seetharaman, J, Mao, L, Xiao, R, Cunningham, K, Owen, L.A, Maglaqui, M, Baran, M.C, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-01-30 | | Release date: | 2008-02-26 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of DR_0571 protein from Deinococcus radiodurans in complex with ADP.
To be Published
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