2P0R
 
 | | Structure of Human Calpain 9 in complex with Leupeptin | | Descriptor: | CALCIUM ION, Calpain-9, leupeptin | | Authors: | Davis, T.L, Paramanathan, R, Walker, J.R, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-03-01 | | Release date: | 2007-03-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of Human Minicalpains bound to Inhibitors
To be Published
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3FQJ
 | | Crystal Structure of the Mouse Dom3Z in Complex with GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Protein Dom3Z | | Authors: | Xiang, S, Tong, L. | | Deposit date: | 2009-01-07 | | Release date: | 2009-02-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.623 Å) | | Cite: | Structure and function of the 5'-->3' exoribonuclease Rat1 and its activating partner Rai1.
Nature, 458, 2009
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3FTZ
 | | Leukotriene A4 hydrolase in complex with fragment 2-(pyridin-3-ylmethoxy)aniline | | Descriptor: | 2-(pyridin-3-ylmethoxy)aniline, ACETATE ION, IMIDAZOLE, ... | | Authors: | Davies, D.R. | | Deposit date: | 2009-01-13 | | Release date: | 2010-01-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
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6S0Q
 | | Structure of the A2A adenosine receptor determined at SwissFEL using native-SAD at 4.57 keV from 50,000 diffraction patterns | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | | Authors: | Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C. | | Deposit date: | 2019-06-18 | | Release date: | 2020-07-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
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6NZ5
 | | YcjX-GDPCP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, YcjX Stress Protein | | Authors: | Lee, S, Tsai, J, Tsai, F.T, Sung, N, Lee, J, Chang, C. | | Deposit date: | 2019-02-12 | | Release date: | 2019-09-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.233 Å) | | Cite: | Crystal Structure of the YcjX Stress Protein Reveals a Ras-Like GTP-Binding Protein.
J.Mol.Biol., 431, 2019
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6RQ1
 | | CYP121 in complex with 2-methyl dicyclotyrosine | | Descriptor: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(2-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... | | Authors: | Poddar, H, Levy, C. | | Deposit date: | 2019-05-15 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct.
J.Med.Chem., 62, 2019
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4ATD
 | | Crystal structure of native Raucaffricine glucosidase | | Descriptor: | RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION | | Authors: | Xia, L, Rajendran, C, Ruppert, M, Panjikar, S, Wang, M, Stoeckigt, J. | | Deposit date: | 2012-05-05 | | Release date: | 2013-01-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | High Speed X-Ray Analysis of Plant Enzymes at Room Temperature
Phytochemistry, 91, 2013
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6S12
 | | Erythromycin Resistant Staphylococcus aureus 50S ribosome (delta R88 A89 uL22). | | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | Authors: | Halfon, Y, Matozv, D, Eyal, Z, Bashan, A, Zimmerman, E, Kjeldgaard, J, Ingmer, H, Yonath, A. | | Deposit date: | 2019-06-18 | | Release date: | 2019-08-21 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Exit tunnel modulation as resistance mechanism of S. aureus erythromycin resistant mutant.
Sci Rep, 9, 2019
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6RQB
 | | CYP121 in complex with 3-bromo dicyclotyrosine | | Descriptor: | 3-bromo dicyclotyrosine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Poddar, H, Levy, C. | | Deposit date: | 2019-05-15 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.459 Å) | | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct.
J.Med.Chem., 62, 2019
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6NZW
 | | LRRC8A-DCPIB in MSP1E3D1 nanodisc constricted state | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 4-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}butanoic acid, Volume-regulated anion channel subunit LRRC8A | | Authors: | Kern, D.M, Hite, R.K, Brohawn, S.G. | | Deposit date: | 2019-02-14 | | Release date: | 2019-02-27 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.21 Å) | | Cite: | Cryo-EM structures of the DCPIB-inhibited volume-regulated anion channel LRRC8A in lipid nanodiscs.
Elife, 8, 2019
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6O0K
 | | crystal structure of BCL-2 with venetoclax | | Descriptor: | 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide, Apoptosis regulator Bcl-2, NONAETHYLENE GLYCOL | | Authors: | Birkinshaw, R.W, Luo, C.S, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2019-02-16 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations.
Nat Commun, 10, 2019
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6O33
 | | Crystal Structure Analysis of PIN1 | | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, peptide | | Authors: | Seo, H.-S, Dhe-Paganon, S. | | Deposit date: | 2019-02-25 | | Release date: | 2020-02-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Crystal Structure Analysis of PIN1
To be Published
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6S33
 | | Ligand binding domain of the P. putida receptor PcaY_PP in complex with Protocatechuate | | Descriptor: | 3,4-DIHYDROXYBENZOIC ACID, ACETATE ION, Aromatic acid chemoreceptor | | Authors: | Gavira, J.A, Mantilla, M.A, Fernandez, M, Krell, T. | | Deposit date: | 2019-06-24 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | The structural basis for signal promiscuity in a bacterial chemoreceptor.
Febs J., 288, 2021
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4ATL
 | | Crystal structure of Raucaffricine glucosidase in complex with Glucose | | Descriptor: | RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, beta-D-glucopyranose | | Authors: | Xia, L, Rajendran, C, Ruppert, M, Panjikar, S, Wang, M, Stoeckigt, J. | | Deposit date: | 2012-05-08 | | Release date: | 2013-01-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | High Speed X-Ray Analysis of Plant Enzymes at Room Temperature
Phytochemistry, 91, 2013
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6O3C
 | | Crystal structure of active Smoothened bound to SAG21k, cholesterol, and NbSmo8 | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-chloro-4,7-difluoro-N-{[2-methoxy-5-(pyridin-4-yl)phenyl]methyl}-N-[trans-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide, ... | | Authors: | Deshpande, I.S, Liang, J, Hedeen, D, Roberts, K.J, Zhang, Y, Ha, B, Latorraca, N.R, Faust, B, Dror, R.O, Beachy, P.A, Myers, B.R, Manglik, A. | | Deposit date: | 2019-02-26 | | Release date: | 2019-07-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Smoothened stimulation by membrane sterols drives Hedgehog pathway activity.
Nature, 571, 2019
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6S4Q
 | | scdSav(SASK) - Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes | | Descriptor: | GLYCEROL, Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III) | | Authors: | Rebelein, J.G. | | Deposit date: | 2019-06-28 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Breaking Symmetry: Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes.
J.Am.Chem.Soc., 141, 2019
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3FU0
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4AXB
 | | Crystal structure of soman-aged human butyrylcholinesterase in complex with 2-PAM | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Wandhammer, M, de Koning, M, Noort, D, Goeldner, M, Nachon, F. | | Deposit date: | 2012-06-12 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A Step Toward the Reactivation of Aged Cholinesterases -Crystal Structure of Ligands Binding to Aged Human Butyrylcholinesterase
Chem.Biol.Interact, 203, 2013
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3FUH
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3FTX
 | | Leukotriene A4 hydrolase in complex with dihydroresveratrol and bestatin | | Descriptor: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol, ACETATE ION, ... | | Authors: | Davies, D.R. | | Deposit date: | 2009-01-13 | | Release date: | 2009-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
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6RVX
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3FUI
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6RYF
 | | High-resolution crystal structure of ERAP1 in complex with 15mer phosphinic peptide | | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Giastas, P, Stratikos, E. | | Deposit date: | 2019-06-10 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Mechanism for antigenic peptide selection by endoplasmic reticulum aminopeptidase 1.
Proc.Natl.Acad.Sci.USA, 2019
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6RZ6
 | | Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2570366 (C2221 space group) | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3- dihydro-1,4-benzoxazine-2-carboxylic acid, CHOLESTEROL, ... | | Authors: | Gusach, A, Luginina, A, Marin, E, Brouillette, R.L, Besserer-Offroy, E, Longpre, J.M, Ishchenko, A, Popov, P, Fujimoto, T, Maruyama, T, Stauch, B, Ergasheva, M, Romanovskaya, D, Stepko, A, Kovalev, K, Shevtsov, M, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Mishin, A, Cherezov, V. | | Deposit date: | 2019-06-12 | | Release date: | 2019-12-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors.
Nat Commun, 10, 2019
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4B1Z
 | | Structure of the Phactr1 RPEL domain bound to G-actin | | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Mouilleron, S, Wiezlak, M, O'Reilly, N, Treisman, R, McDonald, N.Q. | | Deposit date: | 2012-07-12 | | Release date: | 2012-11-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structures of the Phactr1 RPEL domain and RPEL motif complexes with G-actin reveal the molecular basis for actin binding cooperativity.
Structure, 20, 2012
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