7BZ2
| Cryo-EM structure of the formoterol-bound beta2 adrenergic receptor-Gs protein complex. | Descriptor: | Beta2 adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Zhang, Y.N, Yang, F, Ling, S.L, Lv, P, Zhou, Y.X, Fang, W, Sun, W, Shi, P, Tian, C.L. | Deposit date: | 2020-04-26 | Release date: | 2020-08-05 | Method: | ELECTRON MICROSCOPY (3.82 Å) | Cite: | Single-particle cryo-EM structural studies of the beta2AR-Gs complex bound with a full agonist formoterol. Cell Discov, 6, 2020
|
|
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
|
|
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
|
|
6RNT
| CRYSTAL STRUCTURE OF RIBONUCLEASE T1 COMPLEXED WITH ADENOSINE 2'-MONOPHOSPHATE AT 1.8-ANGSTROMS RESOLUTION | Descriptor: | ADENOSINE-2'-MONOPHOSPHATE, CALCIUM ION, RIBONUCLEASE T1 | Authors: | Ding, J, Koellner, G, Grunert, H.-P, Saenger, W. | Deposit date: | 1991-08-20 | Release date: | 1993-01-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of ribonuclease T1 complexed with adenosine 2'-monophosphate at 1.8-A resolution. J.Biol.Chem., 266, 1991
|
|
5M4Z
| Crystal structure of the complex of T.spiralis thymidylate synthase with N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate, crystallized in the presence of N(5,10)-methylenetetrahydrofolate | Descriptor: | GLYCEROL, Thymidylate synthase, [(2~{R},3~{S},5~{R})-5-[(4~{E})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | Authors: | Wilk, P, Maj, P, Jarmula, A, Dowiercial, A, Rode, W. | Deposit date: | 2016-10-19 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.179 Å) | Cite: | Molecular Mechanism of Thymidylate Synthase Inhibition by N 4 -Hydroxy-dCMP in View of Spectrophotometric and Crystallographic Studies. Int J Mol Sci, 22, 2021
|
|
1IAD
| REFINED 1.8 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF ASTACIN, A ZINC-ENDOPEPTIDASE FROM THE CRAYFISH ASTACUS ASTACUS L. STRUCTURE DETERMINATION, REFINEMENT, MOLECULAR STRUCTURE AND COMPARISON TO THERMOLYSIN | Descriptor: | ASTACIN | Authors: | Gomis-Rueth, F.-X, Stoecker, W, Bode, W. | Deposit date: | 1994-05-09 | Release date: | 1994-08-31 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Refined 1.8 A X-ray crystal structure of astacin, a zinc-endopeptidase from the crayfish Astacus astacus L. Structure determination, refinement, molecular structure and comparison with thermolysin. J.Mol.Biol., 229, 1993
|
|
1IAB
| CRYSTAL STRUCTURES, SPECTROSCOPIC FEATURES, AND CATALYTIC PROPERTIES OF COBALT(II), COPPER(II), NICKEL(II), AND MERCURY(II) DERIVATIVES OF THE ZINC ENDOPEPTIDASE ASTACIN. A CORRELATION OF STRUCTURE AND PROTEOLYTIC ACTIVITY | Descriptor: | ASTACIN, COBALT (II) ION | Authors: | Gomis-Rueth, F.-X, Stoecker, W, Bode, W. | Deposit date: | 1994-05-09 | Release date: | 1994-08-31 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal structures, spectroscopic features, and catalytic properties of cobalt(II), copper(II), nickel(II), and mercury(II) derivatives of the zinc endopeptidase astacin. A correlation of structure and proteolytic activity. J.Biol.Chem., 269, 1994
|
|
1IAA
| CRYSTAL STRUCTURES, SPECTROSCOPIC FEATURES, AND CATALYTIC PROPERTIES OF COBALT(II), COPPER(II), NICKEL(II), AND MERCURY(II) DERIVATIVES OF THE ZINC ENDOPEPTIDASE ASTACIN. A CORRELATION OF STRUCTURE AND PROTEOLYTIC ACTIVITY | Descriptor: | ASTACIN, COPPER (II) ION | Authors: | Gomis-Rueth, F.-X, Stoecker, W, Bode, W. | Deposit date: | 1994-05-09 | Release date: | 1994-08-31 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures, spectroscopic features, and catalytic properties of cobalt(II), copper(II), nickel(II), and mercury(II) derivatives of the zinc endopeptidase astacin. A correlation of structure and proteolytic activity. J.Biol.Chem., 269, 1994
|
|
1E0F
| Crystal structure of the human alpha-thrombin-haemadin complex: an exosite II-binding inhibitor | Descriptor: | HAEMADIN, THROMBIN | Authors: | Richardson, J.L, Kroeger, B, Hoefken, W, Pereira, P, Huber, R, Bode, W, Fuentes-Prior, P. | Deposit date: | 2000-03-27 | Release date: | 2000-11-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal Structure of the Human Alpha-Thrombin-Haemadin Complex: An Exosite II-Binding Inhibitor Embo J., 19, 2000
|
|
1ETT
| |
1ETS
| |
1ETR
| REFINED 2.3 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEXES FORMED WITH THE BENZAMIDINE AND ARGININE-BASED THROMBIN INHIBITORS NAPAP, 4-TAPAP AND MQPA: A STARTING POINT FOR IMPROVING ANTITHROMBOTICS | Descriptor: | EPSILON-THROMBIN, amino{[(4S)-5-[(2R,4R)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium | Authors: | Bode, W, Brandstetter, H. | Deposit date: | 1992-07-06 | Release date: | 1994-01-31 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics. J.Mol.Biol., 226, 1992
|
|
2PTN
| ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY | Descriptor: | CALCIUM ION, TRYPSIN | Authors: | Walter, J, Steigemann, W, Singh, T.P, Bartunik, H, Bode, W, Huber, R. | Deposit date: | 1981-10-26 | Release date: | 1982-03-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography Acta Crystallogr.,Sect.B, 38, 1982
|
|
2PPS
| PHOTOSYNTHETIC REACTION CENTER AND CORE ANTENNA SYSTEM (TRIMERIC), ALPHA CARBON ONLY | Descriptor: | CHLOROPHYLL A, IRON/SULFUR CLUSTER, PHOTOSYSTEM I, ... | Authors: | Krauss, N, Schubert, W.-D, Klukas, O, Fromme, P, Witt, H.T, Saenger, W. | Deposit date: | 1997-05-27 | Release date: | 1998-05-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Photosystem I at 4 A resolution represents the first structural model of a joint photosynthetic reaction centre and core antenna system. Nat.Struct.Biol., 3, 1996
|
|
6URC
| Crystal structure of IRE1a in complex with compound 18 | Descriptor: | 2-chloro-N-(6-methyl-5-{[3-(2-{[(3S)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide, GLYCEROL, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Wallweber, H.H, Wang, W. | Deposit date: | 2019-10-23 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Disruption of IRE1 alpha through its kinase domain attenuates multiple myeloma. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
6VGT
| |
6V9T
| Tudor domain of TDRD3 in complex with a small molecule | Descriptor: | 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, Tudor domain-containing protein 3, UNKNOWN ATOM OR ION | Authors: | Li, W, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-12-16 | Release date: | 2019-12-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.154 Å) | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II. Nat Commun, 13, 2022
|
|
1TPA
| THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS | Descriptor: | ANHYDRO-TRYPSIN, BOVINE PANCREATIC TRYPSIN INHIBITOR, CALCIUM ION | Authors: | Huber, R, Bode, W, Deisenhofer, J. | Deposit date: | 1982-09-27 | Release date: | 1983-01-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors Acta Crystallogr.,Sect.B, 39, 1983
|
|
7Z2K
| Crystal structure of SARS-CoV-2 Main Protease in orthorhombic space group p212121 | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2022-02-28 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections To Be Published
|
|
7YRE
| Crystal structure of a bright green fluorescent protein (StayGold) with triple mutations (N137A, Q140S, Y187F) in jellyfish Cytaeis uchidae from Biortus | Descriptor: | 1,2-ETHANEDIOL, staygold(N137A,Q140S,Y187F) | Authors: | Wu, J, Wang, F, Gui, W, Cheng, W, Yang, Y. | Deposit date: | 2022-08-09 | Release date: | 2023-08-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a bright green fluorescent protein (StayGold) with triple mutations (N137A, Q140S, Y187F) in jellyfish Cytaeis uchidae from Biortus To Be Published
|
|
7YQH
| Cryo-EM structure of 8-subunit Smc5/6 | Descriptor: | DNA repair protein KRE29, E3 SUMO-protein ligase MMS21, Non-structural maintenance of chromosome element 3, ... | Authors: | Qian, L, Jun, Z, Xiang, Z, Tong, C, Zhaoning, W, Duo, J, Zhenguo, C, Lanfeng, W. | Deposit date: | 2022-08-07 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (5.6 Å) | Cite: | Cryo-EM structure of 8-subunit Smc5/6 To Be Published
|
|
8A5B
| Crystal structure of human cathepsin L in complex with covalently bound MG-101 | Descriptor: | Calpain Inhibitor I, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2022-06-14 | Release date: | 2023-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
|
|
8A4U
| Crystal structure of human cathepsin L with CAA0225 | Descriptor: | (2S,3S)-N3-[2-(4-hydroxyphenyl)ethyl]-N2-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide, 1,2-ETHANEDIOL, Cathepsin L, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2022-06-13 | Release date: | 2023-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
|
|
8A4V
| Crystal structure of human cathepsin L with covalently bound E-64 | Descriptor: | Cathepsin L, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2022-06-13 | Release date: | 2023-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
|
|
8A4W
| Crystal structure of human cathepsin L with covalently bound Cathepsin L inhibitor IV | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2022-06-13 | Release date: | 2023-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
|
|