3T4N
 
 | | Structure of the regulatory fragment of Saccharomyces cerevisiae AMPK in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Carbon catabolite-derepressing protein kinase, Nuclear protein SNF4, ... | | Authors: | Mayer, F.V, Heath, R, Underwood, E, Sanders, M.J, Carmena, D, McCartney, R, Leiper, F.C, Xiao, B, Jing, C, Walker, P.A, Haire, L.F, Ogrodowicz, R, Martin, S.R, Schmdit, M.C, Gamblin, S.J, Carling, D. | | Deposit date: | 2011-07-26 | | Release date: | 2011-11-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | ADP Regulates SNF1, the Saccharomyces cerevisiae Homolog of AMP-Activated Protein Kinase.
Cell Metab, 14, 2011
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3T8X
 | | Crystal structure of human CD1b in complex with synthetic antigenic diacylsulfoglycolipid SGL12 and endogenous spacer | | Descriptor: | 2-O-sulfo-alpha-D-glucopyranosyl 2-O-hexadecanoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-alpha-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Garcia-Alles, L.F, Maveyraud, L, Mourey, L, Julien, S. | | Deposit date: | 2011-08-02 | | Release date: | 2011-10-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural reorganization of the human CD1b Antigen-binding groove for presentation of mycobacterial sulfoglycolipids
To be Published
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3SCZ
 | | Combining crystallographic, thermodynamic, and molecular dynamics studies of Mycobacterium tuberculosis purine nucleoside phosphorylase | | Descriptor: | HYPOXANTHINE, Purine nucleoside phosphorylase | | Authors: | de Azevedo Jr, W.F, Caceres, R.A, Timmers, L.F.S.M, Ducati, R.G, Rosado, L.A, Basso, L.A, Santos, D.S. | | Deposit date: | 2011-06-08 | | Release date: | 2012-06-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Combining crystallographic, thermodynamic, and molecular dynamics studies of Mycobacterium tuberculosis purine nucleoside phosphorylase
To be Published
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3UN0
 | | Crystal Structure of MDC1 FHA Domain | | Descriptor: | Mediator of DNA damage checkpoint protein 1, SULFATE ION | | Authors: | Clapperton, J.A, Lloyd, J, Haire, L.F, Li, J, Smerdon, S.J. | | Deposit date: | 2011-11-15 | | Release date: | 2011-12-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The molecular basis of ATM-dependent dimerization of the Mdc1 DNA damage checkpoint mediator.
Nucleic Acids Res., 40, 2012
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8W6A
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8W6B
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5TSQ
 | | Crystal structure of IUnH from Leishmania braziliensis in complex with D-Ribose | | Descriptor: | CALCIUM ION, IUnH, beta-D-ribofuranose | | Authors: | Bachega, J.F.R, Timmers, L.F.S.M, Dalberto, P.F, Martinelli, L, Pinto, A.F.M, Basso, L.A, Norberto de Souza, O, Santos, D.S. | | Deposit date: | 2016-10-31 | | Release date: | 2016-12-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Crystal structure of IUnH from Leishmania braziliensis in complex with D-Ribose
To Be Published
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5VFN
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5VFH
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3V6L
 | | Crystal Structure of caspase-6 inactivation mutation | | Descriptor: | Caspase-6 | | Authors: | Cao, Q, Wang, X.J, Liu, D.F, Li, L.F, Su, X.D. | | Deposit date: | 2011-12-20 | | Release date: | 2012-03-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inhibitory mechanism of caspase-6 phosphorylation revealed by crystal structures, molecular dynamics simulations, and biochemical assays
J.Biol.Chem., 287, 2012
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5VFJ
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5VFM
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8YSA
 | | The co-crystal structure of SARS-CoV-2 Mpro in complex with compound H102 | | Descriptor: | 3C-like proteinase nsp5, BOC-TBG-PHE-ELL | | Authors: | Zheng, W.Y, Fu, L.F, Feng, Y, Han, P, Qi, J.X. | | Deposit date: | 2024-03-22 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery, Biological Activity, and Structural Mechanism of a Potent Inhibitor of SARS-CoV-2 Main Protease
To Be Published
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8U5J
 | | Structure of Mango III variant aptamer bound to T01-07M-B | | Descriptor: | 2-[(E)-(1,7-dimethylquinolin-4(1H)-ylidene)methyl]-3-{2,16-dioxo-20-[(3aR,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium, DIMETHYL SULFOXIDE, Mango III variant, ... | | Authors: | Passalacqua, L.F.M, Ferre-D'Amare, A.R. | | Deposit date: | 2023-09-12 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of Mango III variant aptamer bound to T01-07M-B
To Be Published
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3UOT
 | | Crystal Structure of MDC1 FHA Domain in Complex with a Phosphorylated Peptide from the MDC1 N-terminus | | Descriptor: | Mediator of DNA damage checkpoint protein 1 | | Authors: | Clapperton, J.A, Lloyd, J, Haire, L.F, Li, J, Smerdon, S.J. | | Deposit date: | 2011-11-17 | | Release date: | 2011-12-28 | | Last modified: | 2012-07-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The molecular basis of ATM-dependent dimerization of the Mdc1 DNA damage checkpoint mediator.
Nucleic Acids Res., 40, 2012
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3V6M
 | | Inhibition of caspase-6 activity by single mutation outside the active site | | Descriptor: | Caspase-6 | | Authors: | Cao, Q, Wang, X.J, Liu, D.F, Li, L.F, Su, X.D. | | Deposit date: | 2011-12-20 | | Release date: | 2012-03-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.692 Å) | | Cite: | Inhibitory mechanism of caspase-6 phosphorylation revealed by crystal structures, molecular dynamics simulations, and biochemical assays
J.Biol.Chem., 287, 2012
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5WES
 | | Crystal Structure H2-Dd with disulfide-linked 5mer peptide | | Descriptor: | Beta-2-microglobulin, GLYCINE, H-2 class I histocompatibility antigen, ... | | Authors: | Jiang, J.S, Natarajan, K, Boyd, L.F, Margulies, D.H. | | Deposit date: | 2017-07-10 | | Release date: | 2017-10-18 | | Last modified: | 2017-12-13 | | Method: | X-RAY DIFFRACTION (2.706 Å) | | Cite: | Crystal structure of a TAPBPR-MHC I complex reveals the mechanism of peptide editing in antigen presentation.
Science, 358, 2017
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3V52
 | | Structure of a monoclonal antibody complexed with its MHC-I antigen | | Descriptor: | 1,2-ETHANEDIOL, ANTI-MHC-I MONOCLONAL ANTIBODY, 64-3-7 H CHAIN, ... | | Authors: | Mage, M.G, Dolan, M.A, Wang, R, Boyd, L.F, Revilleza, M.J, Robinson, H, Natarajan, K, Myers, N.B, Hansen, T.H, Margulies, D.H. | | Deposit date: | 2011-12-15 | | Release date: | 2012-07-25 | | Last modified: | 2012-08-01 | | Method: | X-RAY DIFFRACTION (1.697 Å) | | Cite: | The Peptide-receptive transition state of MHC class I molecules: insight from structure and molecular dynamics.
J.Immunol., 189, 2012
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3TDH
 | | Structure of the regulatory fragment of sccharomyces cerevisiae AMPK in complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, Carbon catabolite-derepressing protein kinase, Nuclear protein SNF4, ... | | Authors: | Mayer, F.V, Heath, R, Underwood, E, Sanders, M.J, Carmena, D, McCartney, R, Leiper, F.C, Xiao, B, Jing, C, Walker, P.A, Haire, L.F, Ogrodowicz, R, Martin, S.R, Schmidt, M.C, Gamblin, S.J, Carling, D. | | Deposit date: | 2011-08-11 | | Release date: | 2011-11-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | ADP Regulates SNF1, the Saccharomyces cerevisiae Homolog of AMP-Activated Protein Kinase.
Cell Metab, 14, 2011
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5WET
 | | Crystal Structure of H2-Dd with disulfide-linked 6mer peptide | | Descriptor: | Beta-2-microglobulin, GLYCINE, H-2 class I histocompatibility antigen, ... | | Authors: | Jiang, J.S, Natarajan, K, Boyd, L.F, Margulies, D.H. | | Deposit date: | 2017-07-10 | | Release date: | 2017-10-18 | | Last modified: | 2017-12-13 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Crystal structure of a TAPBPR-MHC I complex reveals the mechanism of peptide editing in antigen presentation.
Science, 358, 2017
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5WEU
 | | Crystal Structure of H2-Dd with disulfide-linked 10mer peptide | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, Envelope glycoprotein gp160, ... | | Authors: | Jiang, J.S, Natarajan, K, Boyd, L.F, Margulies, D.H. | | Deposit date: | 2017-07-10 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.584 Å) | | Cite: | Crystal structure of a TAPBPR-MHC I complex reveals the mechanism of peptide editing in antigen presentation.
Science, 358, 2017
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5WER
 | | Crystal Structure of TAPBPR and H2-Dd complex | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CITRIC ACID, ... | | Authors: | Jiang, J.S, Natarajan, K, Boyd, L.F, Margulies, D.H. | | Deposit date: | 2017-07-10 | | Release date: | 2017-10-18 | | Last modified: | 2019-08-28 | | Method: | X-RAY DIFFRACTION (3.412 Å) | | Cite: | Crystal structure of a TAPBPR-MHC I complex reveals the mechanism of peptide editing in antigen presentation.
Science, 358, 2017
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3U1N
 | | Structure of the catalytic core of human SAMHD1 | | Descriptor: | PHOSPHATE ION, SAM domain and HD domain-containing protein 1, ZINC ION | | Authors: | Goldstone, D.C, Ennis-Adeniran, V, Walker, P.A, Haire, L.F, Webb, M, Taylor, I.A. | | Deposit date: | 2011-09-30 | | Release date: | 2011-11-16 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | HIV-1 restriction factor SAMHD1 is a deoxynucleoside triphosphate triphosphohydrolase
Nature, 480, 2011
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5WTR
 | | Crystal structure of a prokaryotic TRIC channel in 0.5 M KCl | | Descriptor: | 1,2-ETHANEDIOL, POTASSIUM ION, TRISTEAROYLGLYCEROL, ... | | Authors: | Ou, X.M, Wang, L.F, Yang, H.T, Liu, X.Y, Liu, Z.F. | | Deposit date: | 2016-12-14 | | Release date: | 2017-04-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Ion and water binding sites inside an occluded hourglass pore of a TRIC channel
BMC BIOL., 2017
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6KXT
 | | BON1-C2B | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Protein BONZAI 1, SULFATE ION | | Authors: | Wang, Q.C, Jiang, M.Q, Isupov, M.N, Sun, L.F, Wu, Y.K. | | Deposit date: | 2019-09-12 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Crystal Structure of an Arabidopsis Copine providing insights into this protein family
To be published
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