6SVB
| Terahertz irradiated structure of bovine trypsin (odd frames of crystal x40) | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Ahlberg Gagner, V, Lundholm, I, Garcia-Bonete, M.J, Rodilla, H, Friedman, R, Zhaunerchyk, V, Bourenkov, G, Schneider, T, Stake, J, Katona, G. | Deposit date: | 2019-09-18 | Release date: | 2020-01-22 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Clustering of atomic displacement parameters in bovine trypsin reveals a distributed lattice of atoms with shared chemical properties. Sci Rep, 9, 2019
|
|
6SOU
| Fragment N13565a in complex with MAP kinase p38-alpha | Descriptor: | 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone, CHLORIDE ION, Mitogen-activated protein kinase 14, ... | Authors: | Nichols, C.E, De Nicola, G.F. | Deposit date: | 2019-08-29 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
|
|
5UOZ
| |
6SVJ
| Terahertz irradiated structure of bovine trypsin (odd frames of crystal x42) | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Ahlberg Gagner, V, Lundholm, I, Garcia-Bonete, M.J, Rodilla, H, Friedman, R, Zhaunerchyk, V, Bourenkov, G, Schneider, T, Stake, J, Katona, G. | Deposit date: | 2019-09-18 | Release date: | 2020-01-22 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Clustering of atomic displacement parameters in bovine trypsin reveals a distributed lattice of atoms with shared chemical properties. Sci Rep, 9, 2019
|
|
6SVR
| Reference structure of bovine trypsin (odd frames of crystal x28) | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Ahlberg Gagner, V, Lundholm, I, Garcia-Bonete, M.J, Rodilla, H, Friedman, R, Zhaunerchyk, V, Bourenkov, G, Schneider, T, Stake, J, Katona, G. | Deposit date: | 2019-09-18 | Release date: | 2020-01-22 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Clustering of atomic displacement parameters in bovine trypsin reveals a distributed lattice of atoms with shared chemical properties. Sci Rep, 9, 2019
|
|
5UP3
| |
4O37
| seminsynthetic RNase S1-15-3Pl-7/11 | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, S-peptide, ... | Authors: | Genz, M, Strater, N. | Deposit date: | 2013-12-18 | Release date: | 2014-05-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Artificial Imine Reductase based on the Ribonuclease S Scaffold Chem.Cat.Chem, 2014
|
|
4NCY
| In situ trypsin crystallized on a MiTeGen micromesh with imidazole ligand | Descriptor: | 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ... | Authors: | Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S. | Deposit date: | 2013-10-25 | Release date: | 2014-04-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Hitting the target: fragment screening with acoustic in situ co-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes. Acta Crystallogr.,Sect.D, 70, 2014
|
|
5V5Q
| Dehaloperoxidase B L9I mutant | Descriptor: | Dehaloperoxidase B, GLYCEROL, OXYGEN MOLECULE, ... | Authors: | Carey, L.M, Ghiladi, R.A. | Deposit date: | 2017-03-14 | Release date: | 2018-03-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.961 Å) | Cite: | How nature tunes isoenzyme activity in the multifunctional catalytic globin dehaloperoxidase from Amphitrite ornata. Biochim Biophys Acta Proteins Proteom, 1866, 2018
|
|
6SPK
| A4V MUTANT OF HUMAN SOD1 WITH EBSELEN DERIVATIVE 6 | Descriptor: | 2-selanyl-~{N}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Chantadul, V, Amporndanai, K, Wright, G, Shahid, M, Antonyuk, S, Hasnain, S. | Deposit date: | 2019-09-01 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Ebselen as template for stabilization of A4V mutant dimer for motor neuron disease therapy. Commun Biol, 3, 2020
|
|
6SWF
| |
5V5Y
| CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH MK1775 | Descriptor: | 1,2-ETHANEDIOL, 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, DIMETHYL SULFOXIDE, ... | Authors: | ZHU, J.-Y, SCHONBRUNN, E. | Deposit date: | 2017-03-15 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors. J. Med. Chem., 60, 2017
|
|
6SPS
| Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-(trifluoromethyl)benzamide | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(trifluoromethyl)benzamide, DIMETHYL SULFOXIDE, ... | Authors: | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | Deposit date: | 2019-09-02 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
6DWN
| Structure of Human Cytochrome P450 1A1 with Erlotinib | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 1A1, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Bart, A.G, Scott, E.E. | Deposit date: | 2018-06-26 | Release date: | 2018-10-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of human cytochrome P450 1A1 with bergamottin and erlotinib reveal active-site modifications for binding of diverse ligands. J. Biol. Chem., 293, 2018
|
|
7SHI
| |
4O4Z
| MURINE NEUROGLOBIN UNDER 30 BAR PRESSURE NITROUS Oxide | Descriptor: | NITROUS OXIDE, Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Colloc'h, N, Prange, T, Vallone, B. | Deposit date: | 2013-12-19 | Release date: | 2014-09-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystallographic Studies with Xenon and Nitrous Oxide Provide Evidence for Protein-dependent Processes in the Mechanisms of General Anesthesia Anesthesiology, 121, 2014
|
|
5UQW
| Crystal structure of human KRAS G12V mutant in complex with GDP | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Huang, C.S, Kaplan, A, Stockwell, B.R, Tong, L. | Deposit date: | 2017-02-08 | Release date: | 2017-03-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Multivalent Small-Molecule Pan-RAS Inhibitors. Cell, 168, 2017
|
|
7RXI
| |
4NE7
| Crystal Structure of engineered Kumamolisin-As from Alicyclobacillus sendaiensis, Northeast Structural Genomics Consortium (NESG) Target OR367 | Descriptor: | Kumamolisin-As, ZINC ION | Authors: | Guan, R, Pultz, I.S, Siegel, J.B, Seetharaman, J, Kornhaber, G, Maglaqui, M, Mao, L, Xiao, R, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-10-28 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Northeast Structural Genomics Consortium Target OR367 To be Published
|
|
7RXP
| |
6SPX
| Structure of protein kinase CK2 catalytic subunit in complex with the CK2beta-competitive bisubstrate inhibitor ARC1502 | Descriptor: | 8-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]octanoic acid, ARC1502, Casein kinase II subunit alpha | Authors: | Niefind, K, Schnitzler, A. | Deposit date: | 2019-09-03 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.994 Å) | Cite: | Unexpected CK2 beta-antagonistic functionality of bisubstrate inhibitors targeting protein kinase CK2. Bioorg.Chem., 96, 2020
|
|
6DCL
| Crystal structure of UP1 bound to pri-miRNA-18a terminal loop | Descriptor: | 1,2-ETHANEDIOL, Heterogeneous nuclear ribonucleoprotein A1, RNA (5'-R(*AP*GP*UP*AP*GP*AP*UP*UP*AP*GP*C)-3') | Authors: | Kooshapur, H, Sattler, M. | Deposit date: | 2018-05-07 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Structural basis for terminal loop recognition and stimulation of pri-miRNA-18a processing by hnRNP A1. Nat Commun, 9, 2018
|
|
4NFV
| Previously de-ionized HEW lysozyme batch crystallized in 1.1 M MnCl2 | Descriptor: | CHLORIDE ION, Lysozyme C, MANGANESE (II) ION | Authors: | Benas, P, Legrand, L, Ries-Kautt, M. | Deposit date: | 2013-11-01 | Release date: | 2014-05-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry. Acta Crystallogr.,Sect.D, 70, 2014
|
|
4Z0U
| RNase HI/SSB-Ct complex | Descriptor: | Ribonuclease H, SSB-Ct Peptide | Authors: | Petzold, C, Keck, J.L. | Deposit date: | 2015-03-26 | Release date: | 2015-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Interaction with Single-stranded DNA-binding Protein Stimulates Escherichia coli Ribonuclease HI Enzymatic Activity. J.Biol.Chem., 290, 2015
|
|
8VM2
| Crystal Structure of NRAS Q61K bound to GTP | Descriptor: | GTPase NRas, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Gebregiworgis, T, Chan, J.Y.L, Kuntz, D.A, Prive, G.G, Marshall, C.B, Ikura, M. | Deposit date: | 2024-01-12 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal structure of NRAS Q61K with a ligand-induced pocket near switch II. Eur J Cell Biol, 103, 2024
|
|