1RLC
 
 | | CRYSTAL STRUCTURE OF THE UNACTIVATED RIBULOSE 1, 5-BISPHOSPHATE CARBOXYLASE(SLASH)OXYGENASE COMPLEXED WITH A TRANSITION STATE ANALOG, 2-CARBOXY-D-ARABINITOL 1,5-BISPHOSPHATE | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, RIBULOSE 1,5 BISPHOSPHATE CARBOXYLASE/OXYGENASE (LARGE CHAIN), RIBULOSE 1,5 BISPHOSPHATE CARBOXYLASE/OXYGENASE (SMALL CHAIN) | | Authors: | Zhang, K.Y.J, Cascio, D, Eisenberg, D. | | Deposit date: | 1993-08-04 | | Release date: | 1993-10-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of the unactivated ribulose 1,5-bisphosphate carboxylase/oxygenase complexed with a transition state analog, 2-carboxy-D-arabinitol 1,5-bisphosphate.
Protein Sci., 3, 1994
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2P8Y
 | | Fitted structure of ADPR-eEF2 in the 80S:ADPR-eEF2:GDP:sordarin cryo-EM reconstruction | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Elongation factor 2, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Taylor, D.J, Nilsson, J, Merrill, A.R, Andersen, G.R, Nissen, P, Frank, J. | | Deposit date: | 2007-03-23 | | Release date: | 2007-05-08 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (11.7 Å) | | Cite: | Structures of modified eEF2.80S ribosome complexes reveal the role of GTP hydrolysis in translocation.
Embo J., 26, 2007
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3UDP
 | | Crystal Structure of BACE with Compound 12 | | Descriptor: | (4S)-6-bromo-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, 1,2-ETHANEDIOL, Beta-secretase 1, ... | | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | | Deposit date: | 2011-10-28 | | Release date: | 2012-04-18 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
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3UDM
 | | Crystal Structure of BACE with Compound 8 | | Descriptor: | 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | | Deposit date: | 2011-10-28 | | Release date: | 2012-04-18 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
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3UDH
 | | Crystal Structure of BACE with Compound 1 | | Descriptor: | (3S)-spiro[indole-3,3'-pyrrolidin]-2(1H)-one, 1,2-ETHANEDIOL, Beta-secretase 1, ... | | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | | Deposit date: | 2011-10-28 | | Release date: | 2012-04-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
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3UDQ
 | | Crystal Structure of BACE with Compound 13 | | Descriptor: | (4S)-6-bromo-1,1-dioxido-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1 | | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | | Deposit date: | 2011-10-28 | | Release date: | 2012-04-18 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
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3UQP
 | | Crystal structure of Bace1 with its inhibitor | | Descriptor: | Beta-secretase 1, METHYL (2R)-1-[(6S,9S,12S,13S,17S,20S,23R)-9-(3-AMINO-3-OXOPROPYL)-12,23-DIBENZYL-13-HYDROXY-2,2,8,20,22-PENTAMETHYL-17-(2-METHYLPROPYL)-4,7,10,15,18,21,24-HEPTAOXO-6-(PROPAN-2-YL)-3-OXA-5,8,11,16,19,22-HEXAAZATETRACOSAN-24-YL]PYRROLIDINE-2-CARBOXYLATE, SULFATE ION | | Authors: | Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C. | | Deposit date: | 2011-11-21 | | Release date: | 2012-11-21 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
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2P8W
 | | Fitted structure of eEF2 in the 80S:eEF2:GDPNP cryo-EM reconstruction | | Descriptor: | Elongation factor 2, Elongation factor Tu-B, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Taylor, D.J, Nilsson, J, Merrill, A.R, Andersen, G.R, Nissen, P, Frank, J. | | Deposit date: | 2007-03-23 | | Release date: | 2007-05-08 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (11.3 Å) | | Cite: | Structures of modified eEF2.80S ribosome complexes reveal the role of GTP hydrolysis in translocation.
Embo J., 26, 2007
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2OYU
 | | Indomethacin-(S)-alpha-ethyl-ethanolamide bound to Cyclooxygenase-1 | | Descriptor: | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-N-[(1S)-1-(HYDROXYMETHYL)PROPYL]ACETAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Harman, C.A, Garavito, R.M. | | Deposit date: | 2007-02-23 | | Release date: | 2007-07-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of enantioselective inhibition of cyclooxygenase-1 by S-alpha-substituted indomethacin ethanolamides.
J.Biol.Chem., 282, 2007
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1IQB
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2JQ7
 | | Model for thiostrepton binding to the ribosomal L11-RNA | | Descriptor: | 50S RIBOSOMAL PROTEIN L11, RIBOSOMAL RNA, THIOSTREPTON | | Authors: | Jonker, H.R.A, Ilin, S, Grimm, S.K, Woehnert, J, Schwalbe, H. | | Deposit date: | 2007-05-30 | | Release date: | 2007-07-03 | | Last modified: | 2021-08-18 | | Method: | SOLUTION NMR | | Cite: | L11 Domain Rearrangement Upon Binding to RNA and Thiostrepton Studied by NMR Spectroscopy
Nucleic Acids Res., 35, 2007
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8EOI
 | | Structure of a human EMC:human Cav1.2 channel complex in GDN detergent | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chen, Z, Mondal, A, Abderemane-Ali, F, Minor, D.L. | | Deposit date: | 2022-10-03 | | Release date: | 2023-05-24 | | Last modified: | 2023-07-26 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | EMC chaperone-Ca V structure reveals an ion channel assembly intermediate.
Nature, 619, 2023
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8EOG
 | | Structure of the human L-type voltage-gated calcium channel Cav1.2 complexed with L-leucine | | Descriptor: | (2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl dodecanoate, (2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl heptadecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chen, Z, Mondal, A, Abderemane-Ali, F, Minor, D.L. | | Deposit date: | 2022-10-03 | | Release date: | 2023-05-24 | | Last modified: | 2023-07-26 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | EMC chaperone-Ca V structure reveals an ion channel assembly intermediate.
Nature, 619, 2023
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8HMF
 | | head module state 2 of Tetrahymena IFT-A | | Descriptor: | Intraflagellar transport protein 122 homolog, Intraflagellar transporter, WD40 repeat protein, ... | | Authors: | Ma, Y, Wu, J, Lei, M. | | Deposit date: | 2022-12-03 | | Release date: | 2023-06-14 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structural insight into the intraflagellar transport complex IFT-A and its assembly in the anterograde IFT train.
Nat Commun, 14, 2023
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8SY8
 | | Crystal structure of TsaC | | Descriptor: | 4-formylbenzenesulfonate dehydrogenase TsaC | | Authors: | Boggs, D.G, Tian, J, Bridwell-Rabb, J. | | Deposit date: | 2023-05-24 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | The NADH recycling enzymes TsaC and TsaD regenerate reducing equivalents for Rieske oxygenase chemistry.
J.Biol.Chem., 299, 2023
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1PGO
 | | CRYSTALLOGRAPHIC STUDY OF COENZYME, COENZYME ANALOGUE AND SUBSTRATE BINDING IN 6-PHOSPHOGLUCONATE DEHYDROGENASE: IMPLICATIONS FOR NADP SPECIFICITY AND THE ENZYME MECHANISM | | Descriptor: | 6-PHOSPHOGLUCONATE DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION | | Authors: | Adams, M.J, Phillips, C, Gover, S. | | Deposit date: | 1994-07-18 | | Release date: | 1995-02-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystallographic study of coenzyme, coenzyme analogue and substrate binding in 6-phosphogluconate dehydrogenase: implications for NADP specificity and the enzyme mechanism.
Structure, 2, 1994
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2MAD
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4M7I
 | | Crystal Structure of GSK6157 Bound to PERK (R587-R1092, delete A660-T867) at 2.34A Resolution | | Descriptor: | 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1H-indol-1-yl]-2-(6-methylpyridin-2-yl)ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3 | | Authors: | Gampe, R.T, Axten, J.M. | | Deposit date: | 2013-08-12 | | Release date: | 2014-09-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Discovery of 5-{4-fluoro-1-[(6-methyl-2-pyridinyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2656157), a Potent and Selective PERK Inhibitor Selected for Preclinical Development
To be Published
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1PGP
 | | CRYSTALLOGRAPHIC STUDY OF COENZYME, COENZYME ANALOGUE AND SUBSTRATE BINDING IN 6-PHOSPHOGLUCONATE DEHYDROGENASE: IMPLICATIONS FOR NADP SPECIFICITY AND THE ENZYME MECHANISM | | Descriptor: | 6-PHOSPHOGLUCONATE DEHYDROGENASE, 6-PHOSPHOGLUCONIC ACID, SULFATE ION | | Authors: | Adams, M.J, Phillips, C, Gover, S, Naylor, C.E. | | Deposit date: | 1994-07-18 | | Release date: | 1995-02-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystallographic study of coenzyme, coenzyme analogue and substrate binding in 6-phosphogluconate dehydrogenase: implications for NADP specificity and the enzyme mechanism.
Structure, 2, 1994
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8ENU
 | | Structure of the C3bB proconvertase in complex with lufaxin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3 beta chain, Complement C3b alpha' chain, ... | | Authors: | Andersen, J.F, Lei, H. | | Deposit date: | 2022-09-30 | | Release date: | 2023-08-09 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | A bispecific inhibitor of complement and coagulation blocks activation in complementopathy models via a novel mechanism.
Blood, 141, 2023
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1PDX
 | | PUTIDAREDOXIN | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, PROTEIN (PUTIDAREDOXIN) | | Authors: | Pochapsky, T.C, Jain, N.U, Kuti, M, Lyons, T.A, Heymont, J. | | Deposit date: | 1999-02-15 | | Release date: | 1999-05-12 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | A refined model for the solution structure of oxidized putidaredoxin.
Biochemistry, 38, 1999
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8EOK
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1PGQ
 | | CRYSTALLOGRAPHIC STUDY OF COENZYME, COENZYME ANALOGUE AND SUBSTRATE BINDING IN 6-PHOSPHOGLUCONATE DEHYDROGENASE: IMPLICATIONS FOR NADP SPECIFICITY AND THE ENZYME MECHANISM | | Descriptor: | 6-PHOSPHOGLUCONATE DEHYDROGENASE, ADENOSINE-2'-MONOPHOSPHATE, SULFATE ION | | Authors: | Adams, M.J, Phillips, C, Gover, S. | | Deposit date: | 1994-07-18 | | Release date: | 1995-02-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | Crystallographic study of coenzyme, coenzyme analogue and substrate binding in 6-phosphogluconate dehydrogenase: implications for NADP specificity and the enzyme mechanism.
Structure, 2, 1994
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8EWG
 | | Cryo-EM structure of a riboendonclease | | Descriptor: | CRISPR-associated endonuclease Cas9, RNA (56-MER) | | Authors: | Li, Z, Wang, F. | | Deposit date: | 2022-10-23 | | Release date: | 2023-08-30 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural Basis for the Ribonuclease Activity of a Thermostable CRISPR-Cas13a from Thermoclostridium caenicola.
J.Mol.Biol., 435, 2023
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5XON
 | | RNA Polymerase II elongation complex bound with Spt4/5 and TFIIS | | Descriptor: | DNA (48-MER), DNA-directed RNA polymerase subunit, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Ehara, H, Yokoyama, T, Shigematsu, H, Shirouzu, M, Sekine, S. | | Deposit date: | 2017-05-29 | | Release date: | 2017-08-16 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.83 Å) | | Cite: | Structure of the complete elongation complex of RNA polymerase II with basal factors
Science, 357, 2017
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