4AMJ
 
 | | Turkey beta1 adrenergic receptor with stabilising mutations and bound biased agonist carvedilol | | Descriptor: | (2S)-1-(8H-CARBAZOL-4-YLOXY)-3-[2-(2-METHOXYPHENOXY)ETHYLAMINO]PROPAN-2-OL, BETA-1 ADRENERGIC RECEPTOR, HEGA-10, ... | | Authors: | Warne, T, Edwards, P.C, Leslie, A.G, Tate, C.G. | | Deposit date: | 2012-03-12 | | Release date: | 2012-05-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of a Stabilized Beta1-Adrenoceptor Bound to the Biased Agonists Bucindolol and Carvedilol
Structure, 20, 2012
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4A6D
 | | Crystal structure of human N-acetylserotonin methyltransferase (ASMT) in complex with SAM | | Descriptor: | GLYCEROL, HYDROXYINDOLE O-METHYLTRANSFERASE, S-ADENOSYLMETHIONINE, ... | | Authors: | Legrand, P, Haouz, A, Shepard, W. | | Deposit date: | 2011-11-01 | | Release date: | 2012-11-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure and Functional Mapping of Human Asmt, the Last Enzyme of the Melatonin Synthesis Pathway.
J.Pineal Res., 54, 2013
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4AMI
 | | Turkey beta1 adrenergic receptor with stabilising mutations and bound biased agonist bucindolol | | Descriptor: | 2-[(2S)-3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile, BETA-1 ADRENERGIC RECEPTOR, HEGA-10 | | Authors: | Warne, T, Edwards, P.C, Leslie, A.G, Tate, C.G. | | Deposit date: | 2012-03-11 | | Release date: | 2012-05-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal Structures of a Stabilized Beta1-Adrenoceptor Bound to the Biased Agonists Bucindolol and Carvedilol
Structure, 20, 2012
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3VRJ
 | | HLA-B*57:01-LTTKLTNTNI in complex with abacavir | | Descriptor: | 10-mer peptide, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Vivian, J.P, Illing, P.T, McCluskey, J, Rossjohn, J. | | Deposit date: | 2012-04-11 | | Release date: | 2012-05-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Immune self-reactivity triggered by drug-modified HLA-peptide repertoire
Nature, 486, 2012
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5FXU
 | | Crystal Structure of Puumala virus Gn glycoprotein ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE POLYPROTEIN, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Li, S, Rissanen, I, Zeltina, A, Hepojoki, J, Raghwani, J, Harlos, K, Pybus, O.G, Huiskonen, J.T, Bowden, T.A. | | Deposit date: | 2016-03-02 | | Release date: | 2016-05-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | A Molecular-Level Account of the Antigenic Hantaviral Surface.
Cell Rep., 15, 2016
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3Q60
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4B1T
 | | Structure of the factor Xa-like trypsin variant triple-Ala (TA) in complex with eglin C | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ... | | Authors: | Menzel, A, Neumann, P, Stubbs, M.T. | | Deposit date: | 2012-07-12 | | Release date: | 2012-08-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Thermodynamic signatures in macromolecular interactions involving conformational flexibility.
Biol.Chem., 395, 2014
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3TPI
 | | THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS | | Descriptor: | BOVINE PANCREATIC TRYPSIN INHIBITOR, CALCIUM ION, ISOLEUCINE, ... | | Authors: | Huber, R, Bode, W, Deisenhofer, J, Schwager, P. | | Deposit date: | 1982-09-27 | | Release date: | 1983-01-18 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors
Acta Crystallogr.,Sect.B, 39, 1983
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5LHQ
 | | The EGR-cmk active site inhibited catalytic domain of murine urokinase-type plasminogen activator in complex with the allosteric inhibitory nanobody Nb7 | | Descriptor: | 1,2-ETHANEDIOL, Camelid-Derived Antibody Fragment Nb7, L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, ... | | Authors: | Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P.J, Andreasen, P.A. | | Deposit date: | 2016-07-12 | | Release date: | 2017-06-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator.
Sci Rep, 7, 2017
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7BH8
 | | 3H4-Fab HLA-E-VL9 co-complex | | Descriptor: | 3H4 Fab heavy chain, 3H4 Fab light chain, Beta-2-microglobulin, ... | | Authors: | Walters, L.C, Rozbesky, D. | | Deposit date: | 2021-01-10 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mouse and human antibodies bind HLA-E-leader peptide complexes and enhance NK cell cytotoxicity.
Commun Biol, 5, 2022
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5LHS
 | | The ligand free catalytic domain of murine urokinase-type plasminogen activator | | Descriptor: | NICKEL (II) ION, SULFATE ION, Urokinase-type plasminogen activator | | Authors: | Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P.J, Andreasen, P.A. | | Deposit date: | 2016-07-12 | | Release date: | 2017-06-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.047 Å) | | Cite: | Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator.
Sci Rep, 7, 2017
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5MM8
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7CU5
 | | N-Glycosylation of PD-1 and glycosylation dependent binding of PD-1 specific monoclonal antibody camrelizumab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Programmed cell death protein 1, ... | | Authors: | Liu, K.F, Tan, S.G, Jin, W.J, Guan, J.W, Wang, W.L, Sun, H, Qi, J.X, Yan, J.H, Chai, Y, Wang, Z.F, Chu, X.D, Gao, G.F. | | Deposit date: | 2020-08-21 | | Release date: | 2020-10-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | N-glycosylation of PD-1 promotes binding of camrelizumab.
Embo Rep., 21, 2020
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7CP1
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5NN8
 | | Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with acarbose | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Roig-Zamboni, V, Cobucci-Ponzano, B, Iacono, R, Ferrara, M.C, Germany, S, Parenti, G, Bourne, Y, Moracci, M. | | Deposit date: | 2017-04-08 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure of human lysosomal acid alpha-glucosidase-a guide for the treatment of Pompe disease.
Nat Commun, 8, 2017
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5N71
 | | CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) | | Descriptor: | DI(HYDROXYETHYL)ETHER, Putative cathepsin d, SULFATE ION | | Authors: | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | | Deposit date: | 2017-02-17 | | Release date: | 2017-12-27 | | Last modified: | 2018-03-28 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018
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5N7Q
 | | CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) IN COMPLEX WITH THE INHIBITOR PEPSTATIN A | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, PEPSTATIN A, ... | | Authors: | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | | Deposit date: | 2017-02-21 | | Release date: | 2017-12-27 | | Last modified: | 2018-06-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018
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5N2P
 | | Sulfolobus solfataricus Tryptophan Synthase A | | Descriptor: | CHLORIDE ION, TETRAETHYLENE GLYCOL, Tryptophan synthase alpha chain | | Authors: | Fleming, J, Mayans, O. | | Deposit date: | 2017-02-08 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.059 Å) | | Cite: | Evolutionary Morphing of Tryptophan Synthase: Functional Mechanisms for the Enzymatic Channeling of Indole.
J.Mol.Biol., 430, 2018
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5NN3
 | | Crystal structure of human lysosomal acid-alpha-glucosidase, GAA | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Roig-Zamboni, V, Cobucci-Ponzano, B, Iacono, R, Ferrara, M.C, Germany, S, Parenti, G, Bourne, Y, Moracci, M. | | Deposit date: | 2017-04-08 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of human lysosomal acid alpha-glucosidase-a guide for the treatment of Pompe disease.
Nat Commun, 8, 2017
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5NN6
 | | Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with N-hydroxyethyl-1-deoxynojirimycin | | Descriptor: | (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Roig-Zamboni, V, Cobucci-Ponzano, B, Iacono, R, Ferrara, M.C, Germany, S, Parenti, G, Bourne, Y, Moracci, M. | | Deposit date: | 2017-04-08 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of human lysosomal acid alpha-glucosidase-a guide for the treatment of Pompe disease.
Nat Commun, 8, 2017
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8CYZ
 | | Crystal structure of SARS-CoV-2 Mpro with compound C4 | | Descriptor: | 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]acetamide | | Authors: | Worrall, L.J, Lee, J, Strynadka, N.C.J. | | Deposit date: | 2022-05-24 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
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8CZ7
 | | Crystal structure of SARS-CoV-2 Mpro with compound C2 | | Descriptor: | 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-(4-methoxyphenyl)acetamide | | Authors: | Worrall, L.J, Lee, J, Strynadka, N.C.J. | | Deposit date: | 2022-05-24 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
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8CYU
 | | Crystal structure of SARS-CoV-2 Mpro with compound C5 | | Descriptor: | 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)acetamide | | Authors: | Worrall, L.J, Lee, J, Strynadka, N.C.J. | | Deposit date: | 2022-05-24 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
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8CZ4
 | | Crystal structure of SARS-CoV-2 Mpro with compound C3 | | Descriptor: | 3C-like proteinase, N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)acetamide | | Authors: | Worrall, L.J, Lee, J, Strynadka, N.C.J. | | Deposit date: | 2022-05-24 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
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5N70
 | | CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) IN COMPLEX WITH THE N-TERMINAL OCTAPEPTIDE OF THE PROPEPTID | | Descriptor: | ALA-PHE-ARG-ILE-PRO-LEU-THR-ARG, Putative cathepsin d | | Authors: | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | | Deposit date: | 2017-02-17 | | Release date: | 2017-12-27 | | Last modified: | 2018-03-28 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018
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