3O0D
| Crystal structure of Lip2 lipase from Yarrowia lipolytica at 1.7 A resolution | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bordes, F, Tranier, S, Mourey, L, Marty, A. | Deposit date: | 2010-07-19 | Release date: | 2010-11-24 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Exploring the conformational states and rearrangements of Yarrowia lipolytica Lipase. Biophys.J., 99, 2010
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5M6E
| Small Molecule inhibitors of IAP | Descriptor: | 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[(4-methylpyrazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone, DIMETHYL SULFOXIDE, E3 ubiquitin-protein ligase XIAP, ... | Authors: | Williams, P.A. | Deposit date: | 2016-10-25 | Release date: | 2017-05-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP). J. Med. Chem., 60, 2017
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6HWW
| Immature MLV capsid hexamer structure in intact virus particles | Descriptor: | Putative gag polyprotein | Authors: | Qu, K, Glass, B, Dolezal, M, Schur, F.K.M, Rein, A, Rumlova, M, Ruml, T, Kraeusslich, H.G, Briggs, J.A.G. | Deposit date: | 2018-10-15 | Release date: | 2018-12-05 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (6.6 Å) | Cite: | Structure and architecture of immature and mature murine leukemia virus capsids. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6TZO
| Crystal Structure of Fungal RNA Kinase | Descriptor: | 2'-DEOXYGUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, tRNA ligase | Authors: | Shuman, S, Goldgur, Y, Banerjee, A. | Deposit date: | 2019-08-12 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Atomic structures of the RNA end-healing 5'-OH kinase and 2',3'-cyclic phosphodiesterase domains of fungal tRNA ligase: conformational switches in the kinase upon binding of the GTP phosphate donor. Nucleic Acids Res., 47, 2019
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6YTM
| Human Brd2(BD2) L383V mutant in complex with ET-JQ1-OMe | Descriptor: | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, Bromodomain-containing protein 2, methyl (2R)-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]butanoate | Authors: | Bond, A.G, Ciulli, A, Cowan, A.D. | Deposit date: | 2020-04-24 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Stereoselective synthesis of allele-specific BET inhibitors. Org.Biomol.Chem., 18, 2020
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7Q77
| Room temperature structure of RNase A at 50 MPa helium gas pressure in a sapphire capillary | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | Authors: | Lieske, J, Guenther, S, Saouane, S, Meents, A. | Deposit date: | 2021-11-09 | Release date: | 2022-11-16 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fixed-target high-pressure macromolecular crystallography To Be Published
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6RJ5
| Crystal structure of PHGDH in complex with compound 39 | Descriptor: | 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide, D-3-phosphoglycerate dehydrogenase, SULFATE ION | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | Deposit date: | 2019-04-26 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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3W6I
| Crystal structure of 19F probe-labeled hCAI | Descriptor: | 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene, Carbonic anhydrase 1, ZINC ION | Authors: | Takaoka, Y, Kioi, Y, Morito, A, Otani, J, Arita, K, Ashihara, E, Ariyoshi, M, Tochio, H, Shirakawa, M, Hamachi, I. | Deposit date: | 2013-02-14 | Release date: | 2013-03-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.693 Å) | Cite: | Quantitative Comparison of Protein Dynamics in Live Cells and In Vitro by In-Cell 19F-NMR To be published
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5TER
| Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile (JLJ651), a Non-nucleoside Inhibitor | Descriptor: | 5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... | Authors: | Chan, A.H, Anderson, K.S. | Deposit date: | 2016-09-22 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design, Conformation, and Crystallography of 2-Naphthyl Phenyl Ethers as Potent Anti-HIV Agents. ACS Med Chem Lett, 7, 2016
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7LI1
| Crystal structure of holo Moraxella catarrhalis ferric binding protein A in an open conformation | Descriptor: | CARBONATE ION, FE (III) ION, Fe(3+) ABC transporter substrate-binding protein | Authors: | Chan, C, Ng, D, Fraser, M.E, Schryvers, A.B. | Deposit date: | 2021-01-26 | Release date: | 2022-02-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and functional insights into iron acquisition from lactoferrin and transferrin in Gram-negative bacterial pathogens. Biometals, 2022
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3W6R
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5M86
| Crystal Structure of the Thermoplasma acidophilum Protein Ta1207 | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Pathare, G.R, Nagy, I, Bracher, A. | Deposit date: | 2016-10-28 | Release date: | 2017-06-14 | Last modified: | 2017-06-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the Thermoplasma acidophilum protein Ta1207. Acta Crystallogr F Struct Biol Commun, 73, 2017
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5FH6
| Crystal structure of the fifth bromodomain of human PB1 in complex with compound 10 | Descriptor: | (3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one, Protein polybromo-1 | Authors: | Tallant, C, Sutherell, C.L, Siejka, P, Krojer, T, Picaud, S, Fonseca, M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S. | Deposit date: | 2015-12-21 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex. J.Med.Chem., 59, 2016
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7LI0
| Crystal structure of apo Moraxella catarrhalis ferric binding protein A in an open conformation | Descriptor: | CARBONATE ION, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Chan, C, Ng, D, Fraser, M.E, Schryvers, A.B. | Deposit date: | 2021-01-26 | Release date: | 2022-02-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and functional insights into iron acquisition from lactoferrin and transferrin in Gram-negative bacterial pathogens. Biometals, 2022
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5MBX
| Crystal structure of reduced murine N1-acetylpolyamine oxidase in complex with N1-acetylspermine | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide, Peroxisomal N(1)-acetyl-spermine/spermidine oxidase, ... | Authors: | Sjogren, T, Aagaard, A, Wassvik, C, Snijder, A, Barlind, L. | Deposit date: | 2016-11-09 | Release date: | 2017-01-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Structure of Murine N(1)-Acetylspermine Oxidase Reveals Molecular Details of Vertebrate Polyamine Catabolism. Biochemistry, 56, 2017
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7CF9
| Structure of RyR1 (Ca2+/CHL) | Descriptor: | 5-bromanyl-N-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide, CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ... | Authors: | Ma, R, Haji-Ghassemi, O, Ma, D, Lin, L, Samurkas, A, Van Petegem, F, Yuchi, Z. | Deposit date: | 2020-06-24 | Release date: | 2020-09-02 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Structural basis for diamide modulation of ryanodine receptor. Nat.Chem.Biol., 16, 2020
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5YCG
| Ancestral myoglobin aMbWp of Pakicetus relative | Descriptor: | Ancestral myoglobin aMbWp of Pakicetus relative, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T. | Deposit date: | 2017-09-07 | Release date: | 2018-09-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Tracing whale myoglobin evolution by resurrecting ancient proteins. Sci Rep, 8, 2018
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8PT0
| ERK2 covelently bound to RU75 cyclohexenone based inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Sok, P, Poti, A, Remenyi, A, Gogl, G. | Deposit date: | 2023-07-13 | Release date: | 2024-07-24 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a precision-guided warhead scaffold. Nat Commun, 15, 2024
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7Q76
| Room temperature structure of RNase A at 22 MPa helium gas pressure in a sapphire capillary | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | Authors: | Lieske, J, Guenther, S, Saouane, S, Meents, A. | Deposit date: | 2021-11-09 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Fixed-target high-pressure macromolecular crystallography To Be Published
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7Q79
| Room temperature structure of RNase A at 100 MPa helium gas pressure in a sapphire capillary | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | Authors: | Lieske, J, Guenther, S, Saouane, S, Meents, A. | Deposit date: | 2021-11-09 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Fixed-target high-pressure macromolecular crystallography To Be Published
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8CZ6
| CryoEM structure of amplified alpha-synuclein fibril class A type I with extended core from DLB case X | Descriptor: | Alpha-synuclein | Authors: | Zhou, Y, Sokratian, A, Xu, E, Viverette, E, Dillard, L, Yuan, Y, Li, J.Y, Matarangas, A, Bouvette, J, Borgnia, M, Bartesaghi, A, West, A. | Deposit date: | 2022-05-24 | Release date: | 2023-05-31 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural and functional landscape of alpha-synuclein fibril assemblies amplified from cerebrospinal fluid To Be Published
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6EE8
| Mycobacterium tuberculosis RNAP promoter unwinding intermediate complex with RbpA/CarD and AP3 promoter | Descriptor: | DNA (60-MER), DNA (65-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J. | Deposit date: | 2018-08-13 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.92 Å) | Cite: | Structures of an RNA polymerase promoter melting intermediate elucidate DNA unwinding. Nature, 565, 2019
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4XZV
| Crystal Structure of SLMO1-TRIAP1 Complex | Descriptor: | Maltose-binding periplasmic protein,TP53-regulated inhibitor of apoptosis 1, Protein slowmo homolog 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Miliara, X, Garnett, J.A, Matthews, S.J. | Deposit date: | 2015-02-05 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.58 Å) | Cite: | Structural insight into the TRIAP1/PRELI-like domain family of mitochondrial phospholipid transfer complexes. Embo Rep., 16, 2015
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8D0Q
| Human FUT9 bound to GDP-CF3-Fucose and H-Type 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Kadirvelraj, R, Wood, Z.A. | Deposit date: | 2022-05-26 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Structural basis for Lewis antigen synthesis by the alpha 1,3-fucosyltransferase FUT9. Nat.Chem.Biol., 19, 2023
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3KIG
| Mutant carbonic anhydrase II in complex with an azide and an alkyne | Descriptor: | 2-azido-N-(2-sulfanylethyl)ethanamide, 3-ethynylbenzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Schulze-Wischeler, J, Niehage, N.U, Heine, A, Klebe, G. | Deposit date: | 2009-11-02 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Stereo- and Regioselective Azide/Alkyne Cycloadditions in Carbonic Anhydrase II via Tethering, Monitored by Crystallography and Mass Spectrometry. Chemistry, 17, 2011
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