4ZOT
 
 | | Crystal structure of BbKI, a disulfide-free plasma kallikrein inhibitor at 1.4 A resolution | | Descriptor: | Kunitz-type serine protease inhibitor BbKI | | Authors: | Shabalin, I.G, Zhou, D, Wlodawer, A, Oliva, M.L.V. | | Deposit date: | 2015-05-06 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of BbKI, a disulfide-free plasma kallikrein inhibitor.
Acta Crystallogr.,Sect.F, 71, 2015
|
|
5DH7
 | | Two divalent metal ions and conformational changes play roles in the hammerhead ribozyme cleavage reaction-G12A mutant in Mn2+ | | Descriptor: | 5'-R(*GP*GP*GP*CP*GP*UP*DC*UP*GP*GP*GP*CP*AP*GP*UP*AP*CP*CP*CP*A)-3', MANGANESE (II) ION, RNA (48-MER) | | Authors: | Mir, A, Chen, J, Neau, D, Golden, B.L. | | Deposit date: | 2015-08-29 | | Release date: | 2015-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.064 Å) | | Cite: | Two Divalent Metal Ions and Conformational Changes Play Roles in the Hammerhead Ribozyme Cleavage Reaction.
Biochemistry, 54, 2015
|
|
6YBH
 | | Deoxyribonucleoside Kinase | | Descriptor: | Deoxynucleoside kinase, GLYCEROL, Pyrrolo-dC, ... | | Authors: | Allouche-Arnon, H, Bar-Shir, A, Dym, O. | | Deposit date: | 2020-03-17 | | Release date: | 2021-03-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Computationally designed dual-color MRI reporters for noninvasive imaging of transgene expression.
Nat.Biotechnol., 40, 2022
|
|
4YXO
 | | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (3). | | Descriptor: | 4-ethylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Rechlin, C, Heine, A, Klebe, G. | | Deposit date: | 2015-03-23 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
|
|
6Q8O
 | | Respiratory complex I from Thermus thermophilus with bound Piericidin A | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | | Authors: | Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A. | | Deposit date: | 2018-12-15 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.605 Å) | | Cite: | Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
|
|
6W0G
 | | Closed-gate KcsA soaked in 1mM KCl/5mM BaCl2 | | Descriptor: | Fab Heavy Chain, Fab Light Chain, POTASSIUM ION, ... | | Authors: | Rohaim, A, Gong, L, Li, J. | | Deposit date: | 2020-02-29 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
|
|
5HK6
 | |
5HKD
 | | Bacterial sodium channel neck 7G mutant | | Descriptor: | CALCIUM ION, Ion transport protein | | Authors: | Rohaim, A, Minor, D.L. | | Deposit date: | 2016-01-13 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Unfolding of a Temperature-Sensitive Domain Controls Voltage-Gated Channel Activation.
Cell, 164, 2016
|
|
8TVP
 | | Cryo-EM structure of CPD-stalled Pol II in complex with Rad26 (open state) | | Descriptor: | DNA (NTS), DNA (TS), DNA repair and recombination protein RAD26, ... | | Authors: | Sarsam, R.D, Lahiri, I, Leschziner, A.E. | | Deposit date: | 2023-08-18 | | Release date: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Elf1 promotes Rad26's interaction with lesion-arrested Pol II for transcription-coupled repair.
Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8EYI
 | |
5HKG
 | | Total chemical synthesis, refolding and crystallographic structure of a fully active immunophilin: calstabin 2 (FKBP12.6). | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ... | | Authors: | Sirigu, S, Huet, T, Bacchi, M, Jullian, M, Fould, B, Ferry, G, Vuillard, L, Chavas, L, Puget, K, Nosjean, O, Boutin, J.A. | | Deposit date: | 2016-01-14 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Total chemical synthesis, refolding, and crystallographic structure of fully active immunophilin calstabin 2 (FKBP12.6).
Protein Sci., 25, 2016
|
|
4U2F
 | | Crystal structure of dienelactone hydrolase B-1 variant (Q35H, F38L, Y64H, Q110L, C123S, Y137C, Y145C, N154D, E199G, S208G and G211D) at 1.80 A resolution | | Descriptor: | Carboxymethylenebutenolidase, SULFATE ION | | Authors: | Porter, J.L, Collyer, C.A, Ollis, D.L. | | Deposit date: | 2014-07-16 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
|
|
8TVV
 | | Cryo-EM structure of backtracked Pol II | | Descriptor: | DNA (NTS), DNA (TS), DNA-directed RNA polymerase II subunit RPB1, ... | | Authors: | Sarsam, R.D, Lahiri, I, Leschziner, A.E. | | Deposit date: | 2023-08-18 | | Release date: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Elf1 promotes Rad26's interaction with lesion-arrested Pol II for transcription-coupled repair.
Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
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
|
|
8OW9
 | | Crystal structure of Tannerella forsythia MurNAc kinase MurK in complex with N-acetylmuramic acid (MurNAc) | | Descriptor: | N-acetyl-beta-muramic acid, Putative novel MurNAc kinase | | Authors: | Stasiak, A.C, Gogler, K, Fink, P, Stehle, T, Zocher, G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | N-acetylmuramic acid recognition by MurK kinase from the MurNAc auxotrophic oral pathogen Tannerella forsythia.
J.Biol.Chem., 299, 2023
|
|
6YB6
 | | Thrombin in complex with D-Phe-Pro-3-chloro-1,3-dihydroxybenzylamide derivative (13c) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-Phe-Pro-3-chloro-1,3-dihydroxybenzylamide derivative, DIMETHYL SULFOXIDE, ... | | Authors: | Sandner, A, Heine, A, Klebe, G, Abazi, N. | | Deposit date: | 2020-03-16 | | Release date: | 2021-03-31 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Thrombin in complex with D-Phe-Pro-3-chloro-1,3-dihydroxybenzylamide derivative (13c)
To be published
|
|
4Z0I
 | | Crystal structure of a tetramer of GluA2 ligand binding domains bound with glutamate at 1.45 Angstrom resolution | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLUTAMIC ACID, Glutamate receptor 2,Glutamate receptor 2, ... | | Authors: | Baranovic, J, Chebli, M, Salazar, H, Carbone, A.L, Ghisi, V, Faelber, K, Lau, A.Y, Daumke, O, Plested, A.J.R. | | Deposit date: | 2015-03-26 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of the tetrameric wt GluA2 ligand-binding domain bound to glutamate at 1.45 Angstroms resolution
To Be Published
|
|
7SBA
 | |
5KZ0
 | | Structure of Human Anaplastic Lymphoma Kinase in Complex With 2-[(1R)-1-{[2-amino-5-(1,3-dimethyl-1H-pyrazol-4-yl)pyridin-3-yl]oxy}ethyl]-4-fluoro-N,N-dimethylbenzamide | | Descriptor: | 2-[(1~{R})-1-[2-azanyl-5-(1,3-dimethylpyrazol-4-yl)pyridin-3-yl]oxyethyl]-4-fluoranyl-~{N},~{N}-dimethyl-benzamide, ALK tyrosine kinase receptor | | Authors: | McTigue, M, Deng, Y.L, Liu, W, Brooun, A. | | Deposit date: | 2016-07-22 | | Release date: | 2016-08-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]-benzoxadiazacyclotetradecine-3-carbonitrile (PF-06463922), a macrocyclic inhibitor of anaplastic lymphoma kinase (ALK) and c-ros oncogene 1 (ROS1) with preclinical brain exposure and broad-spectrum potency against ALK-resistant mutations.
J. Med. Chem., 57, 2014
|
|
8EYK
 | |
110D
 | | ANTHRACYCLINE-DNA INTERACTIONS AT UNFAVOURABLE BASE BASE-PAIR TRIPLET-BINDING SITES: STRUCTURES OF D(CGGCCG)/DAUNOMYCIN AND D(TGGCCA)/ADRIAMYCIN COMPL | | Descriptor: | DAUNOMYCIN, DNA (5'-D(*CP*GP*GP*CP*CP*G)-3') | | Authors: | Leonard, G.A, Hambley, T.W, McAuley-Hecht, K, Brown, T, Hunter, W.N. | | Deposit date: | 1993-01-21 | | Release date: | 1993-04-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Anthracycline-DNA interactions at unfavourable base-pair triplet-binding sites: structures of d(CGGCCG)/daunomycin and d(TGGCCA)/adriamycin complexes.
Acta Crystallogr.,Sect.D, 49, 1993
|
|
5YPY
 | | Crystal structure of IlvN. Val-1c | | Descriptor: | Acetolactate synthase isozyme 1 small subunit, VALINE | | Authors: | Sarma, S.P, Bansal, A, Schindelin, H, Demeler, B. | | Deposit date: | 2017-11-04 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.966 Å) | | Cite: | Crystallographic Structures of IlvN·Val/Ile Complexes: Conformational Selectivity for Feedback Inhibition of Aceto Hydroxy Acid Synthases.
Biochemistry, 58, 2019
|
|
7V6B
 | | Structure of the Dicer-2-R2D2 heterodimer | | Descriptor: | Dicer-2, isoform A, R2D2 | | Authors: | Yamaguchi, S, Nishizawa, T, Kusakizako, T, Yamashita, K, Tomita, A, Hirano, H, Nishimasu, H, Nureki, O. | | Deposit date: | 2021-08-20 | | Release date: | 2022-03-23 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure of the Dicer-2-R2D2 heterodimer bound to a small RNA duplex.
Nature, 607, 2022
|
|
8OI6
 | | Cryo-EM structure of the undecorated barbed end of filamentous beta/gamma actin | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | | Authors: | Oosterheert, W, Blanc, F.E.C, Roy, A, Belyy, A, Hofnagel, O, Hummer, G, Bieling, P, Raunser, S. | | Deposit date: | 2023-03-22 | | Release date: | 2023-08-09 | | Last modified: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (3.59 Å) | | Cite: | Molecular mechanisms of inorganic-phosphate release from the core and barbed end of actin filaments.
Nat.Struct.Mol.Biol., 30, 2023
|
|
5L04
 | |
