6B33
 
 | | Structure of RORgt in complex with a novel inverse agonist 3 | | Descriptor: | (2R)-N~2~-(3-chloro-4-cyanophenyl)-N~4~-[3-(cyclopropylmethyl)-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinazolin-6-yl]morpholine-2,4-dicarboxamide, Nuclear receptor ROR-gamma | | Authors: | Skene, R.J, Hoffman, I, Snell, G. | | Deposit date: | 2017-09-20 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Design and Synthesis of Conformationally Constrained ROR gamma t Inverse Agonists.
Chemmedchem, 2019
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7MP3
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4ADW
 | | CRYSTAL STRUCTURE OF LEISHMANIA INFANTUM TRYPANOTHIONE REDUCTASE IN COMPLEX WITH NADPH AND TRYPANOTHIONE | | Descriptor: | BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Baiocco, P, Ilari, A, Colotti, G, Malatesta, F, Fiorillo, A. | | Deposit date: | 2012-01-04 | | Release date: | 2013-01-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.61 Å) | | Cite: | Inhibition of Leishmania Infantum Trypanothione Reductase by Azole-Based Compounds: A Comparative Analysis with its Physiological Substrate by X-Ray Crystallography.
Chemmedchem, 8, 2013
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7NFY
 | | P1a-state of wild type human mitochondrial LONP1 protease with bound substrate protein and ATPgS | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial, ... | | Authors: | Mohammed, I, Schmitz, K.A, Schenck, N, Maier, T, Abrahams, J.P. | | Deposit date: | 2021-02-08 | | Release date: | 2021-02-24 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Catalytic cycling of human mitochondrial Lon protease.
Structure, 30, 2022
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7NG5
 | | P1c-state of wild type human mitochondrial LONP1 protease with bound substrate protein in presence of ATP/ADP mix | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Lon protease homolog, ... | | Authors: | Mohammed, I, Schmitz, K.A, Schenck, N, Maier, T, Abrahams, J.P. | | Deposit date: | 2021-02-08 | | Release date: | 2021-02-24 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Catalytic cycling of human mitochondrial Lon protease.
Structure, 30, 2022
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7NG4
 | | P1b-state of wild type human mitochondrial LONP1 protease with bound endogenous substrate protein and in presence of ATP/ADP mix | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Lon protease homolog, ... | | Authors: | Mohammed, I, Schmitz, K.A, Schenck, N, Maier, T, Abrahams, J.P. | | Deposit date: | 2021-02-08 | | Release date: | 2021-02-24 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Catalytic cycling of human mitochondrial Lon protease.
Structure, 30, 2022
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7NGC
 | | P2a-state of wild type human mitochondrial LONP1 protease with bound substrate protein and in presence of ATPgS | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial, ... | | Authors: | Mohammed, I, Schmitz, K.A, Schenck, N, Maier, T, Abrahams, J.P. | | Deposit date: | 2021-02-09 | | Release date: | 2021-04-07 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (7.5 Å) | | Cite: | Catalytic cycling of human mitochondrial Lon protease.
Structure, 30, 2022
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7NGQ
 | | Human mitochondrial Lon protease homolog, D2-state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial | | Authors: | Mohammed, I, Abrahams, J.P, Schmitz, K.A, Maier, T, Schenck, N. | | Deposit date: | 2021-02-09 | | Release date: | 2021-04-28 | | Last modified: | 2022-11-09 | | Method: | ELECTRON MICROSCOPY (12 Å) | | Cite: | Catalytic cycling of human mitochondrial Lon protease.
Structure, 30, 2022
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7NGF
 | | P2c-state of wild type human mitochondrial LONP1 protease with bound endogenous substrate protein and in presence of ATP/ADP mix | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Lon protease homolog, ... | | Authors: | Mohammed, I, Schmitz, K.A, Schenck, N, Maier, T, Abrahams, J.P. | | Deposit date: | 2021-02-09 | | Release date: | 2021-04-28 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (5.6 Å) | | Cite: | Catalytic cycling of human mitochondrial Lon protease.
Structure, 30, 2022
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7NGP
 | | D1-state of wild type human mitochondrial LONP1 protease | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial | | Authors: | Mohammed, I, Schmitz, K.A, Schenck, N, Maier, T, Abrahams, J.P. | | Deposit date: | 2021-02-09 | | Release date: | 2021-04-28 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (15 Å) | | Cite: | Catalytic cycling of human mitochondrial Lon protease.
Structure, 30, 2022
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7NGL
 | | R-state of wild type human mitochondrial LONP1 protease bound to endogenous ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial | | Authors: | Mohammed, I, Schmitz, K.A, Schenck, N, Maier, T, Abrahams, J.P. | | Deposit date: | 2021-02-09 | | Release date: | 2021-04-28 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Catalytic cycling of human mitochondrial Lon protease.
Structure, 30, 2022
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5BNC
 | | Structure of heme binding protein MSMEG_6519 from Mycobacterium smegmatis | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, NICKEL (II) ION, ... | | Authors: | Ahmed, F.H, Carr, P.D, Jackson, C.J. | | Deposit date: | 2015-05-26 | | Release date: | 2015-10-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Sequence-Structure-Function Classification of a Catalytically Diverse Oxidoreductase Superfamily in Mycobacteria.
J.Mol.Biol., 427, 2015
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1Y5A
 | | Dianhydrosugar-based benzamidine, factor Xa specific inhibitor in complex with bovine trypsin mutant | | Descriptor: | 2-O-{4-[AMINO(IMINO)METHYL]PHENYL}-5-O-{3-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Di Fenza, A, Heine, A, Klebe, G. | | Deposit date: | 2004-12-02 | | Release date: | 2005-12-13 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions
Chemmedchem, 2, 2007
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1Y5B
 | | Dianhydrosugar-based benzamidine, factor Xa specific inhibitor in complex with bovine trypsin mutant | | Descriptor: | 2,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL, CALCIUM ION, IMIDAZOLE, ... | | Authors: | Di Fenza, A, Heine, A, Klebe, G. | | Deposit date: | 2004-12-02 | | Release date: | 2005-12-13 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions
Chemmedchem, 2, 2007
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6VQN
 | | Co-crystal structure of human PD-L1 complexed with Compound A | | Descriptor: | N,N'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide), Programmed cell death 1 ligand 1 | | Authors: | White, A, Lakshminarasimhan, D, Leo, C, Suto, R.K. | | Deposit date: | 2020-02-05 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Checkpoint inhibition through small molecule-induced internalization of programmed death-ligand 1.
Nat Commun, 12, 2021
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3H1C
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5ZPW
 | | Generation of a long-acting fusion inhibitor against HIV-1 | | Descriptor: | MET-THR-TRP-GLU-GLU-TRP-ASP-MK8-LYS-ILE-GLU-MK8-TYR-THR-MK8-LYS-ILE-GLU-MK8-LEU-ILE-LYS-LYS-SER, Transmembrane protein gp41 | | Authors: | Guo, Y, Shi, X.L. | | Deposit date: | 2018-04-16 | | Release date: | 2019-03-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | Generation of a long-acting fusion inhibitor against HIV-1.
Medchemcomm, 9, 2018
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6IQC
 | | Wild-type Programmed Cell Death 5 protein from Sulfolobus solfataricus | | Descriptor: | DNA-binding protein SSO0352, SODIUM ION, TETRAETHYLENE GLYCOL | | Authors: | Chen, C.Y, Lin, K.F, Hsu, C.Y, Tsai, M.J. | | Deposit date: | 2018-11-06 | | Release date: | 2019-02-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Crystal structure of the programmed cell death 5 protein from Sulfolobus solfataricus.
Acta Crystallogr F Struct Biol Commun, 75, 2019
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6IQO
 | | Se-Met L45M Programmed Cell Death 5 protein from Sulfolobus solfataricus | | Descriptor: | DNA-binding protein SSO0352, NONAETHYLENE GLYCOL | | Authors: | Chen, C.Y, Lin, K.F, Hsu, C.Y, Tsai, M.J. | | Deposit date: | 2018-11-08 | | Release date: | 2019-02-20 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal structure of the programmed cell death 5 protein from Sulfolobus solfataricus.
Acta Crystallogr F Struct Biol Commun, 75, 2019
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6JU0
 | | Mouse antibody 3.3 Fab in complex with PEG | | Descriptor: | 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Fab heavy chain, ... | | Authors: | Lee, C.C, Ko, T.P, Lin, L.L, Wang, A.H.J. | | Deposit date: | 2019-04-12 | | Release date: | 2020-02-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Structural basis of polyethylene glycol recognition by antibody.
J.Biomed.Sci., 27, 2020
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5U5M
 | | CRYSTAL STRUCTURE OF I83E MEDITOPE-ENABLED TRASTUZUMAB WITH AZIDO-MEDITOPE | | Descriptor: | AZIDO-PEG4-MEDITOPE, Immunoglobulin G binding protein A, MEMAB TRASTUZUMAB, ... | | Authors: | Williams, J.C, Bzymek, K.P, Pucket, J, Avery, K.A, Ma, Y, Xie, J, Zer, C, Horne, D. | | Deposit date: | 2016-12-06 | | Release date: | 2018-03-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal Structure Of I83E Meditope-Enabled Trastuzumab With Azido-Meditope
To Be Published
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8U2A
 | | Crystal structure of NanI in complex with Neu5,9Ac | | Descriptor: | 1,2-ETHANEDIOL, 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, Exo-alpha-sialidase, ... | | Authors: | Medley, B.J, Boraston, A.B. | | Deposit date: | 2023-09-05 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | A "terminal" case of glycan catabolism: structural and enzymatic characterization of the sialidases of Clostridium perfringens.
J.Biol.Chem., 2024
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8UB5
 | | The Apo NanH structure from Clostridium perfringens | | Descriptor: | 1,2-ETHANEDIOL, ACETYL GROUP, Sialidase | | Authors: | Medley, B.J, Boraston, A.B. | | Deposit date: | 2023-09-22 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A "terminal" case of glycan catabolism: structural and enzymatic characterization of the sialidases of Clostridium perfringens.
J.Biol.Chem., 2024
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8U5O
 | | The structure of the catalytic domain of NanI sialdase in complex with Neu5Gc | | Descriptor: | CALCIUM ION, Exo-alpha-sialidase, N-glycolyl-alpha-neuraminic acid, ... | | Authors: | Medley, B.J, Low, K.E, Garber, J.M, Gray, T.E, Liu, L, Klassen, L, Fordwour, O.B, Inglis, G.D, Boons, G.J, Zandberg, W.F, Abbott, W.D, Boraston, A.B. | | Deposit date: | 2023-09-12 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A "terminal" case of glycan catabolism: structural and enzymatic characterization of the sialidases of Clostridium perfringens.
J.Biol.Chem., 2024
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8UVV
 | | The NanJ sialidase catalytic domain in complex with Neu5Ac | | Descriptor: | CHLORIDE ION, Exo-alpha-sialidase NanJ, N-acetyl-alpha-neuraminic acid | | Authors: | Medley, B.J, Boraston, A.B. | | Deposit date: | 2023-11-04 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A "terminal" case of glycan catabolism: structural and enzymatic characterization of the sialidases of Clostridium perfringens.
J.Biol.Chem., 2024
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