7DLD
 
 | | Crystal structures of (S)-carbonyl reductases from Candida parapsilosis in different oligomerization states | | Descriptor: | Carbonyl Reductase, MAGNESIUM ION | | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | | Deposit date: | 2020-11-27 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
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7DN1
 | | Hetero-oligomers of SCR-SCR2 crystal structure with NADPH | | Descriptor: | (S)-specific carbonyl reductase, Carbonyl Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | | Deposit date: | 2020-12-08 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
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7DLL
 | | Short chain dehydrogenase 2 (SCR2) crystal structure with NADPH | | Descriptor: | (S)-specific carbonyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | | Deposit date: | 2020-11-28 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
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8BWU
 | | Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148 inhibitor | | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Transcription factor ETV6,Proofreading exoribonuclease nsp14, ZINC ION | | Authors: | Konkolova, E, Klima, M, Boura, E, Jin, J, Kaniskan, H.U, Han, Y, Vedadi, M. | | Deposit date: | 2022-12-07 | | Release date: | 2023-10-11 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes
Digit Discov, 2024
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6XRE
 | | Structure of the p53/RNA polymerase II assembly | | Descriptor: | Cellular tumor antigen p53, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11-a, ... | | Authors: | Liou, S.-H, Singh, S, Singer, R.H, Coleman, R.A, Liu, W. | | Deposit date: | 2020-07-12 | | Release date: | 2021-03-24 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structure of the p53/RNA polymerase II assembly.
Commun Biol, 4, 2021
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1A6C
 | | STRUCTURE OF TOBACCO RINGSPOT VIRUS | | Descriptor: | TOBACCO RINGSPOT VIRUS CAPSID PROTEIN | | Authors: | Johnson, J.E, Chandrasekar, V. | | Deposit date: | 1998-02-23 | | Release date: | 1998-07-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | The structure of tobacco ringspot virus: a link in the evolution of icosahedral capsids in the picornavirus superfamily.
Structure, 6, 1998
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6XLZ
 | | Structure of NHP D11A.F2 Fab in complex with 16055 V2b peptide | | Descriptor: | (R,R)-2,3-BUTANEDIOL, Envelope glycoprotein gp160, NHP_D11A.F2_Fab_Heavy_chain, ... | | Authors: | Aljedani, S, Rodarte, J, Liban, T, Pancera, M. | | Deposit date: | 2020-06-29 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
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6XSN
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7Z0Y
 | | THSC20.HVTR04 Fab bound to SARS-CoV-2 Receptor Binding Domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Spike protein S1, ... | | Authors: | Wibmer, C.K. | | Deposit date: | 2022-02-23 | | Release date: | 2022-04-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant.
Plos Pathog., 18, 2022
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7Z0X
 | | THSC20.HVTR26 Fab bound to SARS-CoV-2 Receptor Binding Domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Spike protein S1, ... | | Authors: | Wibmer, C.K. | | Deposit date: | 2022-02-23 | | Release date: | 2022-04-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant.
Plos Pathog., 18, 2022
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7TZG
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7TZH
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7TZ2
 | | Structure of human Fibrinogen-like protein 1 | | Descriptor: | CALCIUM ION, Fibrinogen-like protein 1 | | Authors: | Ming, Q, Tran, T.H, Luca, V.C. | | Deposit date: | 2022-02-15 | | Release date: | 2022-05-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | LAG3 ectodomain structure reveals functional interfaces for ligand and antibody recognition.
Nat.Immunol., 23, 2022
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7TZE
 | | Structure of murine LAG3 domains 1-2 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte activation gene 3 protein | | Authors: | Ming, Q, Tran, T.H, Luca, V.C. | | Deposit date: | 2022-02-15 | | Release date: | 2022-05-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | LAG3 ectodomain structure reveals functional interfaces for ligand and antibody recognition.
Nat.Immunol., 23, 2022
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6U3Z
 | | Structure of VD20_5A4 Fab | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Dionne, G, Shapiro, L. | | Deposit date: | 2019-08-22 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.99002314 Å) | | Cite: | Extensive dissemination and intraclonal maturation of HIV Env vaccine-induced B cell responses.
J.Exp.Med., 217, 2020
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7KXJ
 | | SARS-CoV-2 spike protein in complex with Fab 15033-7, 3-"up", asymmetric | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 15033-7 heavy chain, ... | | Authors: | Li, Z, Rini, J. | | Deposit date: | 2020-12-04 | | Release date: | 2021-02-03 | | Last modified: | 2021-08-25 | | Method: | ELECTRON MICROSCOPY (6.4 Å) | | Cite: | Tetravalent SARS-CoV-2 Neutralizing Antibodies Show Enhanced Potency and Resistance to Escape Mutations.
J.Mol.Biol., 433, 2021
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7KXK
 | | SARS-CoV-2 spike protein in complex with Fab 15033-7, 2-"up"-1-"down" conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 15033-7 heavy chain, ... | | Authors: | Li, Z, Rini, J. | | Deposit date: | 2020-12-04 | | Release date: | 2021-02-03 | | Last modified: | 2021-08-25 | | Method: | ELECTRON MICROSCOPY (5 Å) | | Cite: | Tetravalent SARS-CoV-2 Neutralizing Antibodies Show Enhanced Potency and Resistance to Escape Mutations.
J.Mol.Biol., 433, 2021
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7UJ4
 | | Inhibition of Human Menin by SNDX-5613 | | Descriptor: | 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide, Isoform 2 of Menin, MAGNESIUM ION | | Authors: | McKeever, B.M, Kulkarni, S, McGeehan, G.M. | | Deposit date: | 2022-03-30 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | MEN1 mutations mediate clinical resistance to menin inhibition.
Nature, 615, 2023
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6WIT
 | | Crystal structure of NHP D15.SD7 Fab in complex with 16055 V1V2 1FD6 scaffold | | Descriptor: | 16055 V1V2 1FD6 Scaffold, 2-acetamido-2-deoxy-beta-D-glucopyranose, NHP GN1-SD7 Fab Heavy Chain, ... | | Authors: | Liban, T, Aljedani, S, Rodarte, J, Pancera, M. | | Deposit date: | 2020-04-10 | | Release date: | 2021-04-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
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7WVL
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8IOI
 | | Crystal Structure of PadR- family transcriptional regulator Rv1176c from Mycobacterium tuberculosis H37Rv. | | Descriptor: | CHLORIDE ION, GLYCEROL, HEXAETHYLENE GLYCOL, ... | | Authors: | Yadav, V, Zohib, M, Pal, R.K, Biswal, B.K, Arora, A. | | Deposit date: | 2023-03-11 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Structural and biophysical characterization of PadR family protein Rv1176c of Mycobacterium tuberculosis H37Rv.
Int.J.Biol.Macromol., 263, 2024
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5NG2
 | | Structure of RIP2K(D146N) with bound Staurosporine | | Descriptor: | PHOSPHATE ION, Receptor-interacting serine/threonine-protein kinase 2, STAUROSPORINE | | Authors: | Pellegrini, E, Cusack, S. | | Deposit date: | 2017-03-16 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of the inactive and active states of RIP2 kinase inform on the mechanism of activation.
PLoS ONE, 12, 2017
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5NG0
 | | Structure of RIP2K(L294F) with bound AMPPCP | | Descriptor: | COBALT (II) ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Pellegrini, E, Cusack, S. | | Deposit date: | 2017-03-16 | | Release date: | 2017-06-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of the inactive and active states of RIP2 kinase inform on the mechanism of activation.
PLoS ONE, 12, 2017
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5NG3
 | | Structure of inactive kinase RIP2K(K47R) | | Descriptor: | Receptor-interacting serine/threonine-protein kinase 2, SULFATE ION | | Authors: | Pellegrini, E, Cusack, S. | | Deposit date: | 2017-03-16 | | Release date: | 2017-06-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of the inactive and active states of RIP2 kinase inform on the mechanism of activation.
PLoS ONE, 12, 2017
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8GLB
 | | Selenomethionine Derivatized Citrate Synthase (CitA) in Mycobacterium tuberculosis with Pyruvate | | Descriptor: | 1,2-ETHANEDIOL, PYRUVIC ACID, citrate synthase | | Authors: | Pathirage, R, Ronning, D, Favrot, L. | | Deposit date: | 2023-03-21 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
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