8HDF
| Full length crystal structure of mycobacterium tuberculosis FadD23 in complex with ANP and PLM | Descriptor: | Long-chain-fatty-acid--AMP ligase FadD23, PALMITIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Yan, M.R, Liu, X, Zhang, W, Rao, Z.H. | Deposit date: | 2022-11-04 | Release date: | 2023-02-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | The Key Roles of Mycobacterium tuberculosis FadD23 C-terminal Domain in Catalytic Mechanisms. Front Microbiol, 14, 2023
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8HD4
| Full-length crystal structure of mycobacterium tuberculosis FadD23 in complex with AMPC16 | Descriptor: | Long-chain-fatty-acid--AMP ligase FadD23, palmitoyl adenylate | Authors: | Yan, M.R, Liu, X, Zhang, W, Rao, Z.H. | Deposit date: | 2022-11-03 | Release date: | 2023-02-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | The Key Roles of Mycobacterium tuberculosis FadD23 C-terminal Domain in Catalytic Mechanisms. Front Microbiol, 14, 2023
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7RWN
| Crystal Structure of BPTF bromodomain in complex with 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF | Authors: | Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-08-20 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
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5RVX
| PanDDA analysis group deposition -- Crystal Structure of DHTKD1 in complex with Z804566442 | Descriptor: | 5-ethyl-~{N}-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide, MAGNESIUM ION, Probable 2-oxoglutarate dehydrogenase E1 component DHKTD1, ... | Authors: | Bezerra, G.A, Foster, W.R, Bailey, H.J, Shrestha, L, Krojer, T, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2020-10-27 | Release date: | 2020-11-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.661 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7YPE
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8RHJ
| Yeast 20S proteasome in complex with a macrocyclic oxindole epoxyketone (compound 5) | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Macrocyclic oxindole epoxyketone, ... | Authors: | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | Deposit date: | 2023-12-15 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome. Acs Med.Chem.Lett., 15, 2024
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6PS8
| XFEL MT1R structure by ligand exchange from agomelatine to 2-phenylmelatonin. | Descriptor: | Fusion protein of Melatonin receptor type 1A and GlgA glycogen synthase, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | Deposit date: | 2019-07-12 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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4KSC
| Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain | Descriptor: | Multidrug resistance protein 1A | Authors: | Ward, A, Szewczyk, P, Grimard, V, Lee, C.-W, Martinez, L, Doshi, R, Caya, A, Villaluz, M, Pardon, E, Cregger, C, Swartz, D.J, Falson, P, Urbatsch, I, Govaerts, C, Steyaert, J, Chang, G. | Deposit date: | 2013-05-17 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain. Proc.Natl.Acad.Sci.USA, 110, 2013
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7RWP
| Crystal Structure of BPTF bromodomain in complex with 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one | Descriptor: | 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one, CALCIUM ION, Nucleosome-remodeling factor subunit BPTF | Authors: | Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-08-20 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
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4U39
| Crystal Structure of FtsZ:MciZ Complex from Bacillus subtilis | Descriptor: | Cell division factor, Cell division protein FtsZ, PHOSPHATE ION | Authors: | Bisson-Filho, A.W, Discola, K.F, Castellen, P, Blasios, V, Martins, A, Sforca, M.L, Garcia, W, Zeri, A.C, Erickson, H.P, Dessen, A, Gueiros-Filho, F.J. | Deposit date: | 2014-07-19 | Release date: | 2015-03-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.194 Å) | Cite: | Crystal Structure of FtsZ:MciZ Complex from Bacillus subtilis To be Published
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2C2A
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2BKS
| crystal structure of Renin-PF00074777 complex | Descriptor: | (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE, Renin | Authors: | Powell, N.A, Clay, E.H, Holsworth, D.D, Edmunds, J.J, Bryant, J.W, Ryan, J.M, Jalaie, M, Zhang, E. | Deposit date: | 2005-02-18 | Release date: | 2006-04-05 | Last modified: | 2021-07-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Equipotent Activity in Both Enantiomers of a Series of Ketopiperazine-Based Renin Inhibitors Bioorg.Med.Chem.Lett., 15, 2005
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2TEC
| MOLECULAR DYNAMICS REFINEMENT OF A THERMITASE-EGLIN-C COMPLEX AT 1.98 ANGSTROMS RESOLUTION AND COMPARISON OF TWO CRYSTAL FORMS THAT DIFFER IN CALCIUM CONTENT | Descriptor: | CALCIUM ION, EGLIN C, THERMITASE | Authors: | Gros, P, Betzel, C, Dauter, Z, Wilson, K.S, Hol, W.G.J. | Deposit date: | 1990-10-26 | Release date: | 1992-01-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Molecular dynamics refinement of a thermitase-eglin-c complex at 1.98 A resolution and comparison of two crystal forms that differ in calcium content. J.Mol.Biol., 210, 1989
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2BPR
| NMR STRUCTURE OF THE SUBSTRATE BINDING DOMAIN OF DNAK, 25 STRUCTURES | Descriptor: | DNAK | Authors: | Wang, H, Kurochkin, A.V, Pang, Y, Hu, W, Flynn, G.C, Zuiderweg, E.R.P. | Deposit date: | 1998-08-11 | Release date: | 1999-03-02 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR solution structure of the 21 kDa chaperone protein DnaK substrate binding domain: a preview of chaperone-protein interaction. Biochemistry, 37, 1998
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7RWQ
| Crystal Structure of BPTF bromodomain in complex with 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one | Descriptor: | 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one, CALCIUM ION, Nucleosome-remodeling factor subunit BPTF | Authors: | Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-08-20 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
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7YMU
| Structure of Alcohol dehydrogenase from [Candida] glabrata | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sun, Z.W, Liu, Y.F, Xu, G.C, Ni, Y. | Deposit date: | 2022-07-29 | Release date: | 2023-08-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rationla design of CgADH from candida glarata for asymmetric reduction of azacycolne. To Be Published
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2BSY
| Epstein Barr Virus dUTPase | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, SULFATE ION | Authors: | Tarbouriech, N, Buisson, M, Seigneurin, J.-M, Cusack, S, Burmeister, W.P. | Deposit date: | 2005-05-24 | Release date: | 2005-09-15 | Last modified: | 2023-03-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Monomeric Dutpase from Epstein-Barr Virus Mimics Trimeric Dutpases Structure, 13, 2005
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1RZL
| RICE NONSPECIFIC LIPID TRANSFER PROTEIN | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, NONSPECIFIC LIPID TRANSFER PROTEIN, SULFATE ION | Authors: | Lee, J.Y, Min, K.S, Cha, H, Shin, D.H, Hwang, K.Y, Suh, S.W. | Deposit date: | 1997-10-09 | Release date: | 1998-12-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Rice non-specific lipid transfer protein: the 1.6 A crystal structure in the unliganded state reveals a small hydrophobic cavity. J.Mol.Biol., 276, 1998
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6PS4
| XFEL beta2 AR structure by ligand exchange from Timolol to ICI-118551. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-[(1-methylethyl)amino]butan-2-ol, CHOLESTEROL, ... | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | Deposit date: | 2019-07-12 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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8RHL
| Yeast 20S proteasome in complex with a linear biarylether epoxyketone (compound 15a) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Linear biarylether epoxyketone, ... | Authors: | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | Deposit date: | 2023-12-15 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome. Acs Med.Chem.Lett., 15, 2024
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2SGQ
| GLN 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B AT PH 6.5 | Descriptor: | Ovomucoid, PHOSPHATE ION, Streptogrisin B | Authors: | Huang, K, Lu, W, Anderson, S, Laskowski Jr, M, James, M.N.G. | Deposit date: | 1999-03-25 | Release date: | 2003-08-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Recruitment of a Buried K+ Ion to Stabilize the Negative Charge of Ionized P1 in the Hydrophobic Pocket: Crystal Structures of Glu18, Gln18, Asp18 and Asn18 Variants of Turkey Ovomucoid Inhibitor Third Domain Complexed with Streptomyces griseus Protease B at Various pH's To be Published
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2C5R
| The structure of phage phi29 replication organizer protein p16.7 in complex with double stranded DNA | Descriptor: | 5'-D(*CP*CP*GP*GP*TP*GP*GP*AP)-3', 5'-D(*TP*CP*CP*AP*CP*CP*GP*GP)-3', EARLY PROTEIN P16.7 | Authors: | Albert, A, Jimenez, M, Munoz-Espin, D, Asensio, J.L, Hermoso, J.A, Salas, M, Meijer, W.J.J. | Deposit date: | 2005-10-31 | Release date: | 2005-11-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural Basis for Membrane Anchorage of Viral Phi 29 DNA During Replication. J.Biol.Chem., 280, 2005
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2RH1
| High resolution crystal structure of human B2-adrenergic G protein-coupled receptor. | Descriptor: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, ACETAMIDE, ... | Authors: | Cherezov, V, Rosenbaum, D.M, Hanson, M.A, Rasmussen, S.G.F, Thian, F.S, Kobilka, T.S, Choi, H.J, Kuhn, P, Weis, W.I, Kobilka, B.K, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | Deposit date: | 2007-10-05 | Release date: | 2007-10-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor. Science, 318, 2007
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8RHK
| Yeast 20S proteasome in complex with a linear oxindole epoxyketone (compound 6) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Linear oxindole epoxyketone, ... | Authors: | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | Deposit date: | 2023-12-15 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome. Acs Med.Chem.Lett., 15, 2024
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2BRF
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