5AYC
 
 | | Crystal structure of Ruminococcus albus 4-O-beta-D-mannosyl-D-glucose phosphorylase (RaMP1) in complexes with sulfate and 4-O-beta-D-mannosyl-D-glucose | | Descriptor: | 4-O-beta-D-mannosyl-D-glucose phosphorylase, SULFATE ION, beta-D-mannopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Ye, Y, Saburi, W, Kato, K, Yao, M. | | Deposit date: | 2015-08-13 | | Release date: | 2016-03-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insights into the difference in substrate recognition of two mannoside phosphorylases from two GH130 subfamilies.
Febs Lett., 590, 2016
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8K58
 | | The cryo-EM map of close TIEA-TIC complex | | Descriptor: | 15 kDa RNA polymerase-binding protein, DNA (29-MER), DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Zhang, K.N, Liu, Y, Chen, M, Wang, Y, Lin, W, Li, M, Zhang, X, Gao, Y, Gong, Q, Chen, H, Steve, M, Li, S, Zhang, K, Liu, B. | | Deposit date: | 2023-07-21 | | Release date: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | TIEA inhibits Sigma70-dependent transcriptions, accelerates elongation speed and elevates transcription error
To Be Published
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8PIX
 | | Cryo EM structure of the type 3C polymorph of alpha-synuclein at low pH. | | Descriptor: | Alpha-synuclein | | Authors: | Frey, L, Qureshi, B.M, Kwiatkowski, W, Rhyner, D, Greenwald, J, Riek, R. | | Deposit date: | 2023-06-22 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | On the pH-dependence of alpha-synuclein amyloid polymorphism and the role of secondary nucleation in seed-based amyloid propagation
Elife, 2023
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2KAI
 | | REFINED 2.5 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF THE COMPLEX FORMED BY PORCINE KALLIKREIN A AND THE BOVINE PANCREATIC TRYPSIN INHIBITOR. CRYSTALLIZATION, PATTERSON SEARCH, STRUCTURE DETERMINATION, REFINEMENT, STRUCTURE AND COMPARISON WITH ITS COMPONENTS AND WITH THE BOVINE TRYPSIN-PANCREATIC TRYPSIN INHIBITOR COMPLEX | | Descriptor: | BOVINE PANCREATIC TRYPSIN INHIBITOR, KALLIKREIN A | | Authors: | Bode, W, Chen, Z. | | Deposit date: | 1984-05-21 | | Release date: | 1984-07-19 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Refined 2.5 A X-ray crystal structure of the complex formed by porcine kallikrein A and the bovine pancreatic trypsin inhibitor. Crystallization, Patterson search, structure determination, refinement, structure and comparison with its components and with the bovine trypsin-pancreatic trypsin inhibitor complex
J.Mol.Biol., 164, 1983
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8OR8
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5K02
 | | Structure of human SOD1 with T2D mutation | | Descriptor: | COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION | | Authors: | Fay, J.M, Zhu, C, Cui, W, Ke, H, Dokholyan, N.V. | | Deposit date: | 2016-05-17 | | Release date: | 2016-11-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | A Phosphomimetic Mutation Stabilizes SOD1 and Rescues Cell Viability in the Context of an ALS-Associated Mutation.
Structure, 24, 2016
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2ZA9
 | | Crystal Structure of Alginate lyase A1-II' N141C/N199C | | Descriptor: | Alginate lyase, SULFATE ION | | Authors: | Ogura, K, Yamasaki, M, Mikami, B, Hashimoto, W, Murata, K. | | Deposit date: | 2007-10-02 | | Release date: | 2008-05-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Substrate Recognition in Tunnel of Family 7 Alginate Lyase from Sphingomonas sp. A1
To be Published
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5K4J
 | | Crystal Structure of CDK2 in complex with compound 22 | | Descriptor: | 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Cyclin-dependent kinase 2 | | Authors: | Yin, J, Wang, W. | | Deposit date: | 2016-05-20 | | Release date: | 2016-07-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
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6K0R
 | | Ruvbl1-Ruvbl2 with truncated domain II in complex with phosphorylated Cordycepin | | Descriptor: | 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Zhang, W, Chen, L, Li, W, Ju, D, Huang, N, Zhang, E. | | Deposit date: | 2019-05-07 | | Release date: | 2020-05-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Chemical perturbations reveal that RUVBL2 regulates the circadian phase in mammals.
Sci Transl Med, 12, 2020
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5K7F
 | | Crystal structure of apo AibR | | Descriptor: | ACETATE ION, Transcriptional regulator, TetR family | | Authors: | Bock, T, Volz, C, Mueller, R, Blankenfeldt, W. | | Deposit date: | 2016-05-26 | | Release date: | 2016-12-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The AibR-isovaleryl coenzyme A regulator and its DNA binding site - a model for the regulation of alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus.
Nucleic Acids Res., 45, 2017
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5KA9
 | | Protein Tyrosine Phosphatase 1B L192A mutant in complex with TCS401, open state | | Descriptor: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2016-06-01 | | Release date: | 2017-03-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
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8PCD
 | | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 150 ms | | Descriptor: | BORATE ION, Beta-lactamase, SULFATE ION | | Authors: | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | | Deposit date: | 2023-06-11 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
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5AYD
 | | Crystal structure of Ruminococcus albus beta-(1,4)-mannooligosaccharide phosphorylase (RaMP2) in complexes with phosphate | | Descriptor: | Beta-1,4-mannooligosaccharide phosphorylase, PHOSPHATE ION | | Authors: | Ye, Y, Saburi, W, Kato, K, Yao, M. | | Deposit date: | 2015-08-13 | | Release date: | 2016-03-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insights into the difference in substrate recognition of two mannoside phosphorylases from two GH130 subfamilies.
Febs Lett., 590, 2016
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8PCF
 | | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 500 ms | | Descriptor: | BORATE ION, Beta-lactamase, SULFATE ION | | Authors: | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | | Deposit date: | 2023-06-11 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
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5JPF
 | | Serine/Threonine phosphatase Z1 (Candida albicans) binds to inhibitor microcystin-LR | | Descriptor: | MALONATE ION, MANGANESE (II) ION, Microcystin-LR, ... | | Authors: | Choy, M.S, Chen, E.H, Peti, W, Page, R. | | Deposit date: | 2016-05-03 | | Release date: | 2016-08-31 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.39929724 Å) | | Cite: | Molecular Insights into the Fungus-Specific Serine/Threonine Protein Phosphatase Z1 in Candida albicans.
Mbio, 7, 2016
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8PCK
 | | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 0 ms | | Descriptor: | BORATE ION, Beta-lactamase, SULFATE ION | | Authors: | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | | Deposit date: | 2023-06-11 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
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5JQ4
 | | Structure of a GNAT acetyltransferase SACOL1063 from Staphylococcus aureus | | Descriptor: | 1,2-ETHANEDIOL, Acetyltransferase SACOL1063, CHLORIDE ION, ... | | Authors: | Majorek, K.A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-05-04 | | Release date: | 2016-06-29 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Insight into the 3D structure and substrate specificity of previously uncharacterized GNAT superfamily acetyltransferases from pathogenic bacteria.
Biochim.Biophys.Acta, 1865, 2016
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5KYN
 | | Structure of Sec23 and TANGO1 complex | | Descriptor: | Melanoma inhibitory activity protein 3, Protein transport protein Sec23A, ZINC ION | | Authors: | Ma, W, Goldberg, J. | | Deposit date: | 2016-07-21 | | Release date: | 2016-09-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.552 Å) | | Cite: | TANGO1/cTAGE5 receptor as a polyvalent template for assembly of large COPII coats.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5KZN
 | | Metabotropic Glutamate Receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Metabotropic glutamate receptor 2 | | Authors: | Chappell, M.D, Li, R, Smith, S.C, Dressman, B.A, Tromiczak, E.G, Tripp, A.E, Blanco, M.-J, Vetman, T, Quimby, S.J, Matt, J, Britton, T, Fivush, A.M, Schkeryantz, J.M, Mayhugh, D, Erickson, J.A, Bures, M, Jaramillo, C, Carpintero, M, de Diego, J.E, Barberis, M, Garcia-Cerrada, S, Soriano, J.F, Antonysamy, S, Atwell, S, MacEwan, I, Condon, B, Bradley, C, Wang, J, Zhang, A, Conners, K, Groshong, C, Wasserman, S.R, Koss, J.W, Witkin, J.M, Li, X, Overshiner, C, Wafford, K.A, Seidel, W, Wang, X.-S, Heinz, B.A, Swanson, S, Catlow, J, Bedwell, D, Monn, J.A, Mitch, C.H, Ornstein, P. | | Deposit date: | 2016-07-25 | | Release date: | 2016-12-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity.
J. Med. Chem., 59, 2016
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8UGJ
 | | In-situ structure of typeB supercomplex in respiratory chain (composite) | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Zheng, W, Zhang, K, Zhu, J. | | Deposit date: | 2023-10-05 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 631, 2024
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8VRN
 | | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus PPTQ | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-methylphenyl)-2-phenylquinazolin-4(3H)-one, ... | | Authors: | Chojnacka, W, Teng, J, Kim, J.J, Jensen, A.A, Hibbs, R.E. | | Deposit date: | 2024-01-22 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.57 Å) | | Cite: | Structural insights into GABA A receptor potentiation by Quaalude.
Nat Commun, 15, 2024
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8UGG
 | | In-situ complex III, state IV | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ... | | Authors: | Zheng, W, Zhang, K, Zhu, J. | | Deposit date: | 2023-10-05 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 631, 2024
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1JRQ
 | | X-ray Structure Analysis of the Role of the Conserved Tyrosine-369 in Active Site of E. coli Amine Oxidase | | Descriptor: | CALCIUM ION, COPPER (II) ION, Copper amine oxidase | | Authors: | Murray, J.M, Kurtis, C.R, Tambarajah, W, Saysell, C.G, Wilmot, C.M, Parsons, M.R, Phillips, S.E.V, Knowles, P.F, McPherson, M.J. | | Deposit date: | 2001-08-14 | | Release date: | 2001-11-21 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Conserved tyrosine-369 in the active site of Escherichia coli copper amine oxidase is not essential.
Biochemistry, 40, 2001
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8UGH
 | | In-situ structure of typeA supercomplex with lipids in respiratory chain (composite) | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, ... | | Authors: | Zheng, W, Zhang, K, Zhu, J. | | Deposit date: | 2023-10-05 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.1 Å) | | Cite: | High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 631, 2024
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8UGR
 | | In-situ structure of typeX supercomplex in respiratory chain (composite) | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Zheng, W, Zhang, K, Zhu, J. | | Deposit date: | 2023-10-06 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (6.5 Å) | | Cite: | High-resolution in situ structures of mammalian respiratory supercomplexes.
Nature, 631, 2024
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