3BOA
 
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2B5E
 | | Crystal Structure of Yeast Protein Disulfide Isomerase | | Descriptor: | BARIUM ION, GLYCEROL, Protein disulfide-isomerase | | Authors: | Schindelin, H, Tian, G. | | Deposit date: | 2005-09-28 | | Release date: | 2006-01-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The crystal structure of yeast protein disulfide isomerase suggests cooperativity between its active sites.
Cell(Cambridge,Mass.), 124, 2006
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2VA7
 | | X-ray crystal structure of beta secretase complexed with compound 27 | | Descriptor: | (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION | | Authors: | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L.L, Patel, S, Spear, N, Tian, G. | | Deposit date: | 2007-08-30 | | Release date: | 2007-11-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency.
J.Med.Chem., 50, 2007
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2VA6
 | | X-ray crystal structure of beta secretase complexed with compound 24 | | Descriptor: | (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, BETA SECRETASE 1, IODIDE ION | | Authors: | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L.L, Patel, S, Spear, N, Tian, G. | | Deposit date: | 2007-08-30 | | Release date: | 2007-11-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency.
J.Med.Chem., 50, 2007
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2VA5
 | | X-ray crystal structure of beta secretase complexed with compound 8c | | Descriptor: | 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION | | Authors: | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L, Patel, S, Spear, N, Tian, G. | | Deposit date: | 2007-08-30 | | Release date: | 2007-11-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency.
J.Med.Chem., 50, 2007
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3H43
 | | N-terminal domain of the proteasome-activating nucleotidase of Methanocaldococcus jannaschii | | Descriptor: | Proteasome-activating nucleotidase | | Authors: | Jeffrey, P.D, Zhang, F, Hu, M, Tian, G, Zhang, P, Finley, D, Shi, Y. | | Deposit date: | 2009-04-17 | | Release date: | 2009-06-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Insights into the Regulatory Particle of the Proteasome from Methanocaldococcus jannaschii.
Mol.Cell, 34, 2009
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3H4P
 | | Proteasome 20S core particle from Methanocaldococcus jannaschii | | Descriptor: | Proteasome subunit alpha, Proteasome subunit beta | | Authors: | Jeffrey, P.D, Zhang, F, Hu, M, Tian, G, Zhang, P, Finley, D, Shi, Y. | | Deposit date: | 2009-04-20 | | Release date: | 2009-06-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | Structural Insights into the Regulatory Particle of the Proteasome from Methanocaldococcus jannaschii.
Mol.Cell, 34, 2009
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3H4M
 | | AAA ATPase domain of the proteasome- activating nucleotidase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Proteasome-activating nucleotidase | | Authors: | Jeffrey, P, Zhang, F, Hu, M, Tian, G, Zhang, P, Finley, D, Shi, Y. | | Deposit date: | 2009-04-20 | | Release date: | 2009-06-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.106 Å) | | Cite: | Structural Insights into the Regulatory Particle of the Proteasome from Methanocaldococcus jannaschii.
Mol.Cell, 34, 2009
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7BV1
 | | Cryo-EM structure of the apo nsp12-nsp7-nsp8 complex | | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ... | | Authors: | Yin, W, Mao, C, Luan, X, Shen, D, Shen, Q, Su, H, Wang, X, Zhou, F, Zhao, W, Gao, M, Chang, S, Xie, Y.C, Tian, G, Jiang, H.W, Tao, S.C, Shen, J, Jiang, Y, Jiang, H, Xu, Y, Zhang, S, Zhang, Y, Xu, H.E. | | Deposit date: | 2020-04-09 | | Release date: | 2020-04-22 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir.
Science, 368, 2020
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7BV2
 | | The nsp12-nsp7-nsp8 complex bound to the template-primer RNA and triphosphate form of Remdesivir(RTP) | | Descriptor: | MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ... | | Authors: | Yin, W, Mao, C, Luan, X, Shen, D, Shen, Q, Su, H, Wang, X, Zhou, F, Zhao, W, Gao, M, Chang, S, Xie, Y.C, Tian, G, Jiang, H.W, Tao, S.C, Shen, J, Jiang, Y, Jiang, H, Xu, Y, Zhang, S, Zhang, Y, Xu, H.E. | | Deposit date: | 2020-04-09 | | Release date: | 2020-04-22 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir.
Science, 368, 2020
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4AJG
 | | Identification and structural characterization of PDE10 fragment inhibitors | | Descriptor: | CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ... | | Authors: | Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S. | | Deposit date: | 2012-02-16 | | Release date: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
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4AJF
 | | Identification and structural characterization of PDE10 fragment inhibitors | | Descriptor: | CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ... | | Authors: | Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S. | | Deposit date: | 2012-02-16 | | Release date: | 2013-03-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
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4AJM
 | | Development of a plate-based optical biosensor methodology to identify PDE10 fragment inhibitors | | Descriptor: | 3-AMINO-6-FLUORO-2-[4-(2-METHYLPYRIDIN-4-YL)PHENYL]-N-(METHYLSULFONYL)QUINOLINE-4-CARBOXAMIDE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | | Authors: | Geschwindner, S, Johansson, P, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Albert, J.S. | | Deposit date: | 2012-02-16 | | Release date: | 2013-03-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Development of a Plate-Based Optical Biosensor Methodology to Identify Pde10 Fragment Inhibitors
To be Published
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4AJD
 | | Identification and structural characterization of PDE10 fragment inhibitors | | Descriptor: | 2-ETHYL-4-METHYL-PHTHALAZIN-1-ONE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | | Authors: | Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S. | | Deposit date: | 2012-02-16 | | Release date: | 2013-03-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
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5LP6
 | | Crystal structure of Tubulin-Stathmin-TTL-Thiocolchicine Complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Marangon, J, Christodoulou, M, Casagrande, F, Tiana, G, Dalla Via, L, Aliverti, A, Passarella, D, Cappelletti, G, Ricagno, S. | | Deposit date: | 2016-08-11 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Tools for the rational design of bivalent microtubule-targeting drugs.
Biochem. Biophys. Res. Commun., 479, 2016
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4D56
 | | Understanding bi-specificity of A-domains | | Descriptor: | ADENOSINE MONOPHOSPHATE, APNAA1, GLYCEROL, ... | | Authors: | Kaljunen, H, Schiefelbein, S.H.H, Stummer, D, Kozak, S, Meijers, R, Christiansen, G, Rentmeister, A. | | Deposit date: | 2014-11-03 | | Release date: | 2015-07-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Elucidation of the Bispecificity of a Domains as a Basis for Activating Non-Natural Amino Acids.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4D4I
 | | Understanding bi-specificity of A-domains | | Descriptor: | APNAA1, ARGININE, GLYCEROL, ... | | Authors: | Kaljunen, H, Schiefelbein, S.H.H, Stummer, D, Kozak, S, Meijers, R, Christiansen, G, Rentmeister, A. | | Deposit date: | 2014-10-29 | | Release date: | 2015-07-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Elucidation of the Bispecificity of a Domains as a Basis for Activating Non-Natural Amino Acids.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4D4G
 | | Understanding bi-specificity of A-domains | | Descriptor: | APNAA1, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Kaljunen, H, Schiefelbein, S.H.H, Stummer, D, Kozak, S, Meijers, R, Christiansen, G, Rentmeister, A. | | Deposit date: | 2014-10-29 | | Release date: | 2015-07-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural Elucidation of the Bispecificity of a Domains as a Basis for Activating Non-Natural Amino Acids.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4D57
 | | Understanding bi-specificity of A-domains | | Descriptor: | ADENOSINE MONOPHOSPHATE, APNA A1, ARGININE, ... | | Authors: | Kaljunen, H, Schiefelbein, S.H.H, Stummer, D, Kozak, S, Meijers, R, Christiansen, G, Rentmeister, A. | | Deposit date: | 2014-11-03 | | Release date: | 2015-07-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Elucidation of the Bispecificity of a Domains as a Basis for Activating Non-Natural Amino Acids.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4D4H
 | | Understanding bi-specificity of A-domains | | Descriptor: | APNAA1, GLYCEROL | | Authors: | Kaljunen, H, Schiefelbein, S.H.H, Stummer, D, Kozak, S, Meijers, R, Christiansen, G, Rentmeister, A. | | Deposit date: | 2014-10-29 | | Release date: | 2015-07-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.019 Å) | | Cite: | Structural Elucidation of the Bispecificity of a Domains as a Basis for Activating Non-Natural Amino Acids.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4G2W
 | | Crystal structure of PDE5A in complex with its inhibitor | | Descriptor: | 5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Ren, J, Chen, T.T, Xu, Y.C. | | Deposit date: | 2012-07-13 | | Release date: | 2013-06-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
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6L5Z
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7QO3
 | | Structure of the 26S proteasome-Ubp6 complex in the si state (Core Particle and Lid) | | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit RPN1, 26S proteasome regulatory subunit RPN10, ... | | Authors: | Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, T.C, Joshi, T, Rudack, T, Sakata, E, Finley, D. | | Deposit date: | 2021-12-23 | | Release date: | 2022-04-13 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (6.1 Å) | | Cite: | Allosteric control of Ubp6 and the proteasome via a bidirectional switch.
Nat Commun, 13, 2022
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7QO4
 | | 26S proteasome WT-Ubp6-UbVS complex in the si state (ATPases, Rpn1, Ubp6, and UbVS) | | Descriptor: | 26S proteasome regulatory subunit RPN1, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, C, Joshi, T, Rudack, T, Sakata, E, Finley, D. | | Deposit date: | 2021-12-23 | | Release date: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (7 Å) | | Cite: | Allosteric control of Ubp6 and the proteasome via a bidirectional switch.
Nat Commun, 13, 2022
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7QO6
 | | 26S proteasome Rpt1-RK -Ubp6-UbVS complex in the s2 state | | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit 4 homolog, 26S proteasome regulatory subunit 6A, ... | | Authors: | Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, T.C, Joshi, T, Rudack, T, Sakata, E, Finley, D. | | Deposit date: | 2021-12-23 | | Release date: | 2022-03-16 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (6.3 Å) | | Cite: | Allosteric control of Ubp6 and the proteasome via a bidirectional switch.
Nat Commun, 13, 2022
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