7KTI
 
 | | DNA Polymerase Mu, 8-oxodGTP:Ct Product State Ternary Complex, 20 uM Mn2+ (120min) | | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Jamsen, J.A, Wilson, S.H. | | Deposit date: | 2020-11-24 | | Release date: | 2022-05-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
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7KTD
 | | DNA Polymerase Mu, 8-oxodGTP:Ct Product State Ternary Complex, 10 mM Mn2+ (960min) | | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Jamsen, J.A, Wilson, S.H. | | Deposit date: | 2020-11-24 | | Release date: | 2022-05-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.551 Å) | | Cite: | Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
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7KTJ
 | | DNA Polymerase Mu (K438D), 8-oxodGTP:Ct Pre-Catalytic Ground State Ternary Complex, 20 mM Ca2+ (120min) | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Jamsen, J.A, Wilson, S.H. | | Deposit date: | 2020-11-24 | | Release date: | 2022-05-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.452 Å) | | Cite: | Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
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7KTL
 | | DNA Polymerase Mu (K438D), 8-oxodGTP:Ct Product State Ternary Complex, 50 mM Mn2+ (90min) | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA (5'-D(*CP*GP*GP*CP*CP*TP*AP*CP*G)-3'), ... | | Authors: | Jamsen, J.A, Wilson, S.H. | | Deposit date: | 2020-11-24 | | Release date: | 2022-05-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.421 Å) | | Cite: | Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
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7LGP
 | | DapE enzyme from Shigella flexneri | | Descriptor: | CHLORIDE ION, SODIUM ION, Succinyl-diaminopimelate desuccinylase, ... | | Authors: | Osipiuk, J, Endres, M, Becker, D.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-01-20 | | Release date: | 2021-01-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | DapE enzyme from Shigella flexneri
To Be Published
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7VYY
 | | The crystal structure of Non-hydrolyzing UDPGlcNAc 2-epimerase | | Descriptor: | Putative UDP-N-acetylglucosamine 2-epimerase, SODIUM ION | | Authors: | Li, T.L, Rattinam, R. | | Deposit date: | 2021-11-15 | | Release date: | 2022-11-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.443 Å) | | Cite: | KasQ an Epimerase Primes the Biosynthesis of Aminoglycoside Antibiotic Kasugamycin and KasF/H Acetyltransferases Inactivate Its Activity.
Biomedicines, 10, 2022
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7VZA
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7VZ6
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7LD8
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6F39
 | | C1r homodimer CUB1-EGF-CUB2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C1r subcomponent, ... | | Authors: | Almitairi, J.O.M, Venkatraman Girija, U, Furze, C.M, Simpson-Gray, X, Badakshi, F, Marshall, J.E, Mitchell, D.A, Moody, P.C.E, Wallis, R. | | Deposit date: | 2017-11-28 | | Release date: | 2018-01-24 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (5.801 Å) | | Cite: | Structure of the C1r-C1s interaction of the C1 complex of complement activation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6FFB
 | | 17beta-hydroxysteroid dehydrogenase 14 variant S205 - mutant Q148A - in complex with a nonsteroidal inhibitor | | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | | Authors: | Bertoletti, N, Heine, A, Klebe, G, Marchais-Oberwinkler, S. | | Deposit date: | 2018-01-05 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Mutational and structural studies uncover crucial amino acids determining activity and stability of 17 beta-HSD14.
J.Steroid Biochem.Mol.Biol., 189, 2019
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7WBO
 | | Crystal structure of Sarcoplasmic Calcium-Binding Protein from Scylla paramamosain | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ... | | Authors: | Chen, Y, Jin, T, Liu, G. | | Deposit date: | 2021-12-17 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure Analysis of Sarcoplasmic-Calcium-Binding Protein: An Allergen in Scylla paramamosain.
J.Agric.Food Chem., 71, 2023
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6FAK
 | | Human afamin orthorhombic crystal form by controlled hydration | | Descriptor: | 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rupp, B, Naschberger, A, Bowler, M.W. | | Deposit date: | 2017-12-15 | | Release date: | 2019-01-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Controlled dehydration, structural flexibility and gadolinium MRI contrast compound binding in the human plasma glycoprotein afamin.
Acta Crystallogr D Struct Biol, 75, 2019
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7K16
 | | Tamana Bat Virus xrRNA1 | | Descriptor: | MAGNESIUM ION, RNA (51-MER), SODIUM ION | | Authors: | Jones, R.A, Kieft, J.S. | | Deposit date: | 2020-09-07 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Different tertiary interactions create the same important 3D features in a distinct flavivirus xrRNA.
Rna, 27, 2021
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7JZ2
 | | Succinate: quinone oxidoreductase SQR from E.coli K12 | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | | Authors: | Lyu, M, Su, C.-C, Morgan, C.E, Bolla, J.R, Robinson, C.V, Yu, E.W. | | Deposit date: | 2020-09-01 | | Release date: | 2021-01-20 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins.
Nat.Methods, 18, 2021
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6FJT
 | | 4-chloro-benzamidine in complex with thrombin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-chloranylbenzenecarboximidamide, DIMETHYL SULFOXIDE, ... | | Authors: | Abazi, N, Heine, A, Klebe, G. | | Deposit date: | 2018-01-23 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | 4-chloro-benzamidine in complex with thrombin
To be published
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4MVR
 | | Structural Basis for Ca2+ Selectivity of a Voltage-gated Calcium Channel | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Ion transport protein, MANGANESE (II) ION | | Authors: | Tang, L, Gamal El-Din, T.M, Payandeh, J, Gilbert, Q.M, Heard, T.M, Scheuer, T, Zheng, N, Catterall, W.A. | | Deposit date: | 2013-09-24 | | Release date: | 2013-11-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.196 Å) | | Cite: | Structural basis for Ca2+ selectivity of a voltage-gated calcium channel.
Nature, 505, 2014
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4MW3
 | | Structural Basis for Ca2+ Selectivity of a Voltage-gated Calcium Channel | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein | | Authors: | Tang, L, Gamal El-Din, T.M, Payandeh, J, Martinez, G.Q, Heard, T.M, Scheuer, T, Zheng, N, Catterall, W.A. | | Deposit date: | 2013-09-24 | | Release date: | 2013-11-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.2997 Å) | | Cite: | Structural basis for Ca2+ selectivity of a voltage-gated calcium channel.
Nature, 505, 2014
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7JYC
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Narlaprevir | | Descriptor: | (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | | Authors: | Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-08-30 | | Release date: | 2020-09-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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7JYY
 | | Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA)pUpUpApApA (Cap-0) and S-Adenosylmethionine (SAM). | | Descriptor: | 2'-O-methyltransferase, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-09-01 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Mn 2+ coordinates Cap-0-RNA to align substrates for efficient 2'- O -methyl transfer by SARS-CoV-2 nsp16.
Sci.Signal., 14, 2021
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4MVZ
 | | Structural Basis for Ca2+ Selectivity of a Voltage-gated Calcium Channel | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein | | Authors: | Tang, L, Gamal El-Din, T.M, Payandeh, J, Martinez, G.Q, Heard, T.M, Scheuer, T, Zheng, N, Catterall, W.A. | | Deposit date: | 2013-09-24 | | Release date: | 2013-11-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural basis for Ca2+ selectivity of a voltage-gated calcium channel.
Nature, 505, 2014
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7GNM
 | | 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 NIR-WEI-dcc3321b-2 (Mpro-P2761) | | Descriptor: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-{2-[3-(morpholin-4-yl)anilino]-2-oxoethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... | | 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: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7X68
 | | CYS179 and CYS504 of CRMP2 were covalently binded by a Sesquiterpene lactone | | Descriptor: | (3aR,5S,8R,8aR,9aR)-5,8a-dimethyl-3-methylidene-8-oxidanyl-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one, Dihydropyrimidinase-related protein 2, SODIUM ION | | Authors: | Zhang, S.D, Ma, Y.F, Zhang, J. | | Deposit date: | 2022-03-06 | | Release date: | 2022-05-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | CYS179 and CYS504 of CRMP2 were covalently binded by a Sesquiterpene lactone
To Be Published
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7WW6
 | | Crystal structure of MutT-8-oxo-dGTP complex: Reaction for 20 min in 5 mM Mn2+ | | Descriptor: | 7,8-dihydro-8-oxoguanine-triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ... | | Authors: | Nakamura, T, Yamagata, Y. | | Deposit date: | 2022-02-12 | | Release date: | 2022-06-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Visualization of mutagenic nucleotide processing by Escherichia coli MutT, a Nudix hydrolase.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7WW7
 | | Crystal structure of MutT-8-oxo-dGTP complex: Reaction for 1 hr in 5 mM Mn2+ | | Descriptor: | 7,8-dihydro-8-oxoguanine-triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ... | | Authors: | Nakamura, T, Yamagata, Y. | | Deposit date: | 2022-02-12 | | Release date: | 2022-06-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Visualization of mutagenic nucleotide processing by Escherichia coli MutT, a Nudix hydrolase.
Proc.Natl.Acad.Sci.USA, 119, 2022
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