6TEV
 
 | | The structure of CYP121 in complex with inhibitor L44 | | Descriptor: | 1,2-ETHANEDIOL, 1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole, Mycocyclosin synthase, ... | | Authors: | Adam, S, Koehnke, J. | | Deposit date: | 2019-11-12 | | Release date: | 2021-05-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.70001268 Å) | | Cite: | Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors.
Chemmedchem, 16, 2021
|
|
6TE7
 | | The structure of CYP121 in complex with inhibitor S2 | | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[4-[(1~{R})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol, Mycocyclosin synthase, ... | | Authors: | Adam, S, Koehnke, J. | | Deposit date: | 2019-11-11 | | Release date: | 2021-05-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.50001824 Å) | | Cite: | Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors.
Chemmedchem, 16, 2021
|
|
6QBA
 | | Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with non-retinoid ligand A1120 and engineered binding scaffold | | Descriptor: | 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Mlynek, G, Brey, C.U, Djinovic-Carugo, K, Puehringer, D. | | Deposit date: | 2018-12-20 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A conformation-specific ON-switch for controlling CAR T cells with an orally available drug.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
7LNF
 | | 3'-deoxy modification at 3' end of RNA primer complex with guanosine dinucleotide ligand G(5')ppp(5')G | | Descriptor: | 3'-deoxy-guanosine 5'-monophosphate, 4-AMINO-1-[(1S,3R,4R,7S)-7-HYDROXY-1-(HYDROXYMETHYL)-2,5-DIOXABICYCLO[2.2.1]HEPT-3-YL]-5-METHYLPYRIMIDIN-2(1H)-ONE, COBALT (II) ION, ... | | Authors: | Fang, Z, Giurgiu, C, Szostak, J.W. | | Deposit date: | 2021-02-07 | | Release date: | 2021-09-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.652 Å) | | Cite: | Structure-Activity Relationships in Nonenzymatic Template-Directed RNA Synthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
7LNG
 | | TNA modification at 3' end of RNA primer complex with guanosine dinucleotide ligand G(5')ppp(5')G | | Descriptor: | 2-azanyl-9-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{H}-purin-6-one, 4-AMINO-1-[(1S,3R,4R,7S)-7-HYDROXY-1-(HYDROXYMETHYL)-2,5-DIOXABICYCLO[2.2.1]HEPT-3-YL]-5-METHYLPYRIMIDIN-2(1H)-ONE, DIGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Fang, Z, Giurgiu, C, Szostak, J.W. | | Deposit date: | 2021-02-07 | | Release date: | 2021-09-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Activity Relationships in Nonenzymatic Template-Directed RNA Synthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
7LNE
 | | ANA modification at 3' end of RNA primer complex with guanosine dinucleotide ligand G(5')ppp(5')G | | Descriptor: | 4-AMINO-1-[(1S,3R,4R,7S)-7-HYDROXY-1-(HYDROXYMETHYL)-2,5-DIOXABICYCLO[2.2.1]HEPT-3-YL]-5-METHYLPYRIMIDIN-2(1H)-ONE, DIGUANOSINE-5'-TRIPHOSPHATE, GUANINE ARABINOSE-5'-PHOSPHATE, ... | | Authors: | Fang, Z, Giurgiu, C, Szostak, J.W. | | Deposit date: | 2021-02-07 | | Release date: | 2021-09-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Structure-Activity Relationships in Nonenzymatic Template-Directed RNA Synthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
1CJ4
 | | MUTANT Q34T OF PARA-HYDROXYBENZOATE HYDROXYLASE | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID, PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE) | | Authors: | Eppink, M.H.M, Overkamp, K.M, Schreuder, H.A, Van Berkel, W.J.H. | | Deposit date: | 1999-04-21 | | Release date: | 1999-04-30 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Switch of coenzyme specificity of p-hydroxybenzoate hydroxylase.
J.Mol.Biol., 292, 1999
|
|
6VN5
 | | USP7 IN COMPLEX WITH LIGAND COMPOUND 7 | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 7, [(2R)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone | | Authors: | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | | Deposit date: | 2020-01-29 | | Release date: | 2020-04-29 | | Last modified: | 2020-06-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
|
|
1CJ3
 | | MUTANT TYR38GLU OF PARA-HYDROXYBENZOATE HYDROXYLASE | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID, PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE) | | Authors: | Eppink, M.H.M, Overkamp, K.M, Schreuder, H.A, Van Berkel, W.J.H. | | Deposit date: | 1999-04-21 | | Release date: | 1999-04-30 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Switch of coenzyme specificity of p-hydroxybenzoate hydroxylase.
J.Mol.Biol., 292, 1999
|
|
3I8Z
 | | Crystal structure of human chromobox homolog 4 (CBX4) | | Descriptor: | E3 SUMO-protein ligase CBX4 | | Authors: | Amaya, M.F, Zhihong, L, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-07-10 | | Release date: | 2009-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Crystal structure of human chromobox homolog 4 (CBX4)
To be Published
|
|
2XNP
 | | Structure of Nek2 bound to CCT244858 | | Descriptor: | 1,2-ETHANEDIOL, 4-{5-[(1-METHYLPIPERIDIN-4-YL)OXY]-1H-BENZIMIDAZOL-1-YL}-2-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}BENZAMIDE, CHLORIDE ION, ... | | Authors: | Mas-Droux, C, Bayliss, R. | | Deposit date: | 2010-08-05 | | Release date: | 2011-03-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Benzimidazole Inhibitors Induce a Dfg-Out Conformation of Never in Mitosis Gene A-Related Kinase 2 (Nek2) without Binding to the Back Pocket and Reveal a Nonlinear Structure-Activity Relationship.
J.Med.Chem., 54, 2011
|
|
5T5S
 | | A fragment of a human tRNA synthetase | | Descriptor: | Alanine--tRNA ligase, cytoplasmic | | Authors: | Sun, L, Schimmel, P. | | Deposit date: | 2016-08-31 | | Release date: | 2016-11-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | Two crystal structures reveal design for repurposing the C-Ala domain of human AlaRS.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
|
|
2XH2
 | |
2XGZ
 | |
4KJU
 | | Crystal structure of XIAP-Bir2 with a bound benzodiazepinone inhibitor. | | Descriptor: | E3 ubiquitin-protein ligase XIAP, N-{(3S)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}-N~2~-methyl-L-alaninamide, ZINC ION | | Authors: | Lukacs, C.M, Janson, C.A. | | Deposit date: | 2013-05-03 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
|
|
3GHR
 | | Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. First stage of radiation damage | | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | | Authors: | Petrova, T, Ginell, S, Hazemann, I, Mitschler, A, Podjarny, A, Joachimiak, A. | | Deposit date: | 2009-03-04 | | Release date: | 2009-03-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | X-ray-radiation-induced cooperative atomic movements in protein.
J.Mol.Biol., 387, 2009
|
|
4ZYI
 | |
6C04
 | | Mtb RNAP Holo/RbpA/double fork DNA -closed clamp | | Descriptor: | DNA (26-MER), DNA (31-MER), DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J, Lilic, M. | | Deposit date: | 2017-12-27 | | Release date: | 2018-03-28 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Fidaxomicin jamsMycobacterium tuberculosisRNA polymerase motions needed for initiation via RbpA contacts.
Elife, 7, 2018
|
|
7KNA
 | | Localized reconstruction of the H1 A/Michigan/45/2015 ectodomain displayed at the surface of I53_dn5 nanoparticle | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin,I53_dn5 | | Authors: | Acton, O.J, Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2020-11-04 | | Release date: | 2021-03-31 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Quadrivalent influenza nanoparticle vaccines induce broad protection.
Nature, 592, 2021
|
|
2XPY
 | | Structure of Native Leukotriene A4 Hydrolase from Saccharomyces cerevisiae | | Descriptor: | GLUTATHIONE, GLYCEROL, LEUKOTRIENE A-4 HYDROLASE, ... | | Authors: | Helgstrand, C, Hasan, M, Usyal, H, Haeggstrom, J.Z, Thunnissen, M.M.G.M. | | Deposit date: | 2010-08-31 | | Release date: | 2010-12-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | A Leukotriene A(4) Hydrolase-Related Aminopeptidase from Yeast Undergoes Induced Fit Upon Inhibitor Binding.
J.Mol.Biol., 406, 2011
|
|
5AG5
 | | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A THIAZOLIDINONE LIGAND | | Descriptor: | (2R)-3-benzyl-2-(1H-indazol-5-yl)-1,3-thiazolidin-4-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | | Authors: | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | | Deposit date: | 2015-01-29 | | Release date: | 2015-10-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.
Chemmedchem, 10, 2015
|
|
2XN3
 | | Crystal structure of thyroxine-binding globulin complexed with mefenamic acid | | Descriptor: | 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, THYROXINE-BINDING GLOBULIN | | Authors: | Qi, X, Yan, Y, Wei, Z, Zhou, A. | | Deposit date: | 2010-07-30 | | Release date: | 2011-02-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Allosteric Modulation of Hormone Release from Thyroxine and Corticosteroid Binding-Globulins.
J.Biol.Chem., 286, 2011
|
|
6VN3
 | | USP7 IN COMPLEX WITH LIGAND COMPOUND 23 | | Descriptor: | 1-{[7-(5-chloro-2-{[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}-1H-pyrrole-2,5-dione, Ubiquitin carboxyl-terminal hydrolase 7 | | Authors: | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | | Deposit date: | 2020-01-29 | | Release date: | 2020-04-29 | | Last modified: | 2020-06-17 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
|
|
6VN6
 | | USP7 IN COMPLEX WITH LIGAND COMPOUND 14 | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION, [(2R)-5-chloro-7-{2-[(2S)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone | | Authors: | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | | Deposit date: | 2020-01-29 | | Release date: | 2020-04-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
|
|
4POQ
 | | Structure of unliganded VP1 pentamer of Human Polyomavirus 9 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, ISOPROPYL ALCOHOL, ... | | Authors: | Khan, Z.M, Stehle, T. | | Deposit date: | 2014-02-26 | | Release date: | 2014-04-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic and glycan microarray analysis of human polyomavirus 9 VP1 identifies N-glycolyl neuraminic acid as a receptor candidate.
J.Virol., 88, 2014
|
|
