3VHA
| Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine, Heat shock protein HSP 90-alpha | Authors: | Fukami, T.A, Ono, N. | Deposit date: | 2011-08-24 | Release date: | 2012-07-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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3VHC
| Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor | Descriptor: | 4-amino-20,22-dimethyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one, Heat shock protein HSP 90-alpha, MAGNESIUM ION | Authors: | Fukami, T.A, Ono, N. | Deposit date: | 2011-08-24 | Release date: | 2012-07-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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7YU1
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7YU0
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7YU2
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3VUC
| Human renin in complex with compound 5 | Descriptor: | (2R,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-N-[(1R,2S,3S,5S,7S)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]hexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | Authors: | Takahashi, M, Matsui, Y, Hanzawa, H. | Deposit date: | 2012-06-26 | Release date: | 2013-05-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of DS-8108b, a Novel Orally Bioavailable Renin Inhibitor. Acs Med.Chem.Lett., 3, 2012
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7EXE
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3IWR
| Crystal structure of class I chitinase from Oryza sativa L. japonica | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Chitinase | Authors: | Kezuka, Y, Watanabe, T, Nonaka, T. | Deposit date: | 2009-09-03 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structure of full-length class I chitinase from rice revealed by X-ray crystallography and small-angle X-ray scattering. Proteins, 78, 2010
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3WH5
| Crystal structure of GH1 beta-glucosidase Td2F2 | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, SODIUM ION, ... | Authors: | Jo, T, Fushinobu, S, Uchiyama, T, Yaoi, K. | Deposit date: | 2013-08-21 | Release date: | 2014-09-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure and identification of a key amino acid for glucose tolerance, substrate specificity, and transglycosylation activity of metagenomic beta-glucosidase Td2F2. Febs J., 283, 2016
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5ETZ
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7E0H
| LHCII-1 in the state transition supercomplex PSI-LHCI-LHCII from the LhcbM1 lacking mutant of Chlamydomonas reinhardtii | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Pan, X.W, Li, A.J, Liu, Z.F, Li, M. | Deposit date: | 2021-01-28 | Release date: | 2021-06-30 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Structural basis of LhcbM5-mediated state transitions in green algae. Nat.Plants, 7, 2021
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7DZ8
| State transition supercomplex PSI-LHCI-LHCII from the LhcbM1 lacking mutant of Chlamydomonas reinhardtii | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Pan, X.W, Li, A.J, Liu, Z.F, Li, M. | Deposit date: | 2021-01-23 | Release date: | 2021-06-30 | Last modified: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Structural basis of LhcbM5-mediated state transitions in green algae. Nat.Plants, 7, 2021
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7E0J
| LHCII-1 in the state transition supercomplex PSI-LHCI-LHCII from the double phosphatase mutant pph1;pbcp of Chlamydomonas reinhardti. | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Pan, X.W, Li, A.J, Liu, Z.F, Li, M. | Deposit date: | 2021-01-28 | Release date: | 2021-06-30 | Last modified: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Structural basis of LhcbM5-mediated state transitions in green algae. Nat.Plants, 7, 2021
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7E0K
| LHCII-2 in the state transition supercomplex PSI-LHCI-LHCII from the double phosphatase mutant pph1;pbcp of Chlamydomonas reinhardti. | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Pan, X.W, Li, A.J, Liu, Z.F, Li, M. | Deposit date: | 2021-01-28 | Release date: | 2021-06-30 | Last modified: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | Structural basis of LhcbM5-mediated state transitions in green algae. Nat.Plants, 7, 2021
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7DZ7
| State transition supercomplex PSI-LHCI-LHCII from double phosphatase mutant pph1;pbcp of green alga Chlamydomonas reinhardtii | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Pan, X.W, Li, A.J, Liu, Z.F, Li, M. | Deposit date: | 2021-01-23 | Release date: | 2021-06-30 | Last modified: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Structural basis of LhcbM5-mediated state transitions in green algae. Nat.Plants, 7, 2021
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7E0I
| LHCII-2 in the state transition supercomplex PSI-LHCI-LHCII from the LhcbM1 lacking mutant of Chlamydomonas reinhardti | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Pan, X.W, Li, A.J, Liu, Z.F, Li, M. | Deposit date: | 2021-01-28 | Release date: | 2021-06-30 | Last modified: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (3.53 Å) | Cite: | Structural basis of LhcbM5-mediated state transitions in green algae. Nat.Plants, 7, 2021
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3A0I
| Human glucokinase in complex with a synthetic activator | Descriptor: | 3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide, Glucokinase, SODIUM ION, ... | Authors: | Kamata, K, Mitsuya, M. | Deposit date: | 2009-03-19 | Release date: | 2009-04-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of novel 3,6-disubstituted 2-pyridinecarboxamide derivatives as GK activators Bioorg.Med.Chem.Lett., 19, 2009
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3FKK
| Structure of L-2-keto-3-deoxyarabonate dehydratase | Descriptor: | L-2-keto-3-deoxyarabonate dehydratase, PHOSPHATE ION | Authors: | Shimada, N, Mikami, B. | Deposit date: | 2008-12-17 | Release date: | 2010-01-12 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural analysis of L -2-keto-3-deoxyarabonate dehydratase an enzyme involved in an alternative bacterial pathway of L-arabinose metabolism in complex with pyruvate To be Published
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5B35
| Serial Femtosecond Crystallography (SFX) of Ground State Bacteriorhodopsin Crystallized from Bicelles Determined Using 7-keV X-ray Free Electron Laser (XFEL) at SACLA | Descriptor: | (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol, Bacteriorhodopsin, DECANE, ... | Authors: | Mizohata, E, Nakane, T, Suzuki, M. | Deposit date: | 2016-02-10 | Release date: | 2016-11-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Membrane protein structure determination by SAD, SIR, or SIRAS phasing in serial femtosecond crystallography using an iododetergent Proc.Natl.Acad.Sci.USA, 113, 2016
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3B1M
| Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator Cerco-A | Descriptor: | (9aS)-8-acetyl-N-[(2-ethylnaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha | Authors: | Matsui, Y, Hiroyuki, H. | Deposit date: | 2011-07-05 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Pharmacology and in Vitro Profiling of a Novel Peroxisome Proliferator-Activated Receptor gamma Ligand, Cerco-A Biol.Pharm.Bull., 34, 2011
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4HL8
| Re-refinement of the vault ribonucleoprotein particle | Descriptor: | Major vault protein | Authors: | Casanas, A, Querol-Audi, J, Guerra, P, Pous, J, Tanaka, H, Tsukihara, T, Verdaguer, V, Fita, I. | Deposit date: | 2012-10-16 | Release date: | 2013-06-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | New features of vault architecture and dynamics revealed by novel refinement using the deformable elastic network approach. Acta Crystallogr.,Sect.D, 69, 2013
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4NXS
| Crystal structure of human alpha-galactosidase A in complex with 1-deoxygalactonojirimycin-pFPhT | Descriptor: | (2R,3S,4R,5S)-N-(4-fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Johnson, J.L, Drury, J.E, Lieberman, R.L. | Deposit date: | 2013-12-09 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5493 Å) | Cite: | Molecular Basis of 1-Deoxygalactonojirimycin Arylthiourea Binding to Human alpha-Galactosidase A: Pharmacological Chaperoning Efficacy on Fabry Disease Mutants. Acs Chem.Biol., 9, 2014
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5B34
| Serial Femtosecond Crystallography (SFX) of Ground State Bacteriorhodopsin Crystallized from Bicelles in Complex with Iodine-labeled Detergent HAD13a Determined Using 7-keV X-ray Free Electron Laser (XFEL) at SACLA | Descriptor: | 2,4,6-tris(iodanyl)-5-(octanoylamino)benzene-1,3-dicarboxylic acid, Bacteriorhodopsin, DECANE, ... | Authors: | Mizohata, E, Nakane, T. | Deposit date: | 2016-02-10 | Release date: | 2016-11-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Membrane protein structure determination by SAD, SIR, or SIRAS phasing in serial femtosecond crystallography using an iododetergent Proc.Natl.Acad.Sci.USA, 113, 2016
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4J19
| Structure of a novel telomere repeat binding protein bound to DNA | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*TP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*CP*CP*CP*TP*AP*AP*CP*CP*CP*TP*AP*AP*CP*A)-3'), ... | Authors: | Kappei, D, Butter, F, Benda, C, Scheibe, M, Draskovic, I, Stevense, M, Lopes Novo, C, Basquin, C, Krastev, D.B, Kittler, R, Jessberger, R, Londono-Vallejo, A.J, Mann, M, Buchholz, F. | Deposit date: | 2013-02-01 | Release date: | 2013-05-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | HOT1 is a mammalian direct telomere repeat-binding protein contributing to telomerase recruitment. Embo J., 32, 2013
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7X7X
| Human serum albumin complex with deschloro-aripiprazole | Descriptor: | 7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one, PHOSPHATE ION, Serum albumin | Authors: | Kawai, A, Otagiri, M. | Deposit date: | 2022-03-10 | Release date: | 2022-09-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Chlorine Atoms of an Aripiprazole Molecule Control the Geometry and Motion of Aripiprazole and Deschloro-aripiprazole in Subdomain IIIA of Human Serum Albumin. Acs Omega, 7, 2022
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