5JMF
| Heparinase III-BT4657 gene product | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Heparinase III protein, ... | Authors: | Ulaganathan, T.S, Shi, R, Yao, D, Garron, M.-L, Cherney, M, Cygler, M. | Deposit date: | 2016-04-28 | Release date: | 2016-05-25 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (1.854 Å) | Cite: | Conformational flexibility of PL12 family heparinases: structure and substrate specificity of heparinase III from Bacteroides thetaiotaomicron (BT4657). Glycobiology, 27, 2017
|
|
5D9D
| Luciferin-regenerating enzyme solved by SAD using synchrotron radiation at room temperature | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ... | Authors: | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | Deposit date: | 2015-08-18 | Release date: | 2015-09-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography. Sci Rep, 5, 2015
|
|
1QCR
| CRYSTAL STRUCTURE OF BOVINE MITOCHONDRIAL CYTOCHROME BC1 COMPLEX, ALPHA CARBON ATOMS ONLY | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, UBIQUINOL CYTOCHROME C OXIDOREDUCTASE | Authors: | Xia, D, Yu, C.A, Kim, H, Xia, J.Z, Kachurin, A, Zhang, L, Yu, L, Deisenhofer, J. | Deposit date: | 1997-05-17 | Release date: | 1998-10-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the cytochrome bc1 complex from bovine heart mitochondria. Science, 277, 1997
|
|
6BEQ
| Solution structure of de novo macrocycle design10.1 | Descriptor: | AAR(DVA)(DPR)R(DLE)(DTH)PE | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | Deposit date: | 2017-10-25 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
|
|
6BEU
| Solution structure of de novo macrocycle design14_ss | Descriptor: | (DCY)N(DVA)(DPR)DVYC(DPR)(DSG)KY(DVA)(DPR) | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | Deposit date: | 2017-10-25 | Release date: | 2017-12-27 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
|
|
6LHI
| Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with C466 (compound 42) and NADPH | Descriptor: | 1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Vanichtanankul, J, Vitsupakorn, D. | Deposit date: | 2019-12-09 | Release date: | 2020-12-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities. Eur.J.Med.Chem., 195, 2020
|
|
6LIM
| BRD4-BD1 bound with compound 40 | Descriptor: | (3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4 | Authors: | Xiong, B, Cao, D, Li, Y. | Deposit date: | 2019-12-12 | Release date: | 2020-12-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75909507 Å) | Cite: | BRD4-BD1 bound with compound 40 To Be Published
|
|
6L84
| Complex of DNA polymerase IV and D-DNA duplex | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*C)-3'), DNA (5'-D(P*CP*GP*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ... | Authors: | Chung, H.S, An, J, Hwang, D. | Deposit date: | 2019-11-04 | Release date: | 2020-07-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.602 Å) | Cite: | The crystal structure of a natural DNA polymerase complexed with mirror DNA. Chem.Commun.(Camb.), 56, 2020
|
|
6BGJ
| Cryo-EM structure of the TMEM16A calcium-activated chloride channel in LMNG | Descriptor: | Anoctamin-1, CALCIUM ION | Authors: | Dang, S, Feng, S, Tien, J, Peters, C.J, Bulkley, D, Lolicato, M, Zhao, J, Zuberbuhler, K, Ye, W, Qi, L, Chen, T, Craik, C.S, Jan, Y.N, Minor Jr, D.L, Cheng, Y, Jan, L.Y. | Deposit date: | 2017-10-28 | Release date: | 2017-12-27 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structures of the TMEM16A calcium-activated chloride channel. Nature, 552, 2017
|
|
5IUB
| Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12x at 2.1A resolution | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | Authors: | Segala, E, Guo, D, Cheng, R.K.Y, Bortolato, A, Deflorian, F, Dore, A.S, Errey, J.C, Heitman, L.H, Ijzerman, A.P, Marshall, F.H, Cooke, R.M. | Deposit date: | 2016-03-17 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength. J.Med.Chem., 59, 2016
|
|
6L9H
| The Human Telomeric Nucleosome Displays Distinct Structural and Dynamic Properties | Descriptor: | Histone H2A type 1-B/E, Histone H2B type 1-K, Histone H3.1, ... | Authors: | Soman, A, Liew, C.W, Teo, H.L, Berezhnoy, N, Korolev, N, Rhodes, D, Nordenskiold, L. | Deposit date: | 2019-11-10 | Release date: | 2020-04-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The human telomeric nucleosome displays distinct structural and dynamic properties. Nucleic Acids Res., 48, 2020
|
|
6LA9
| 349 bp di-nucleosome harboring cohesive DNA termini assembled with linker histone H1.0 (high cryoprotectant) | Descriptor: | CALCIUM ION, DNA (349-MER), Histone H1.0, ... | Authors: | Adhireksan, Z, Sharma, D, Lee, P.L, Davey, C.A. | Deposit date: | 2019-11-12 | Release date: | 2020-10-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Near-atomic resolution structures of interdigitated nucleosome fibres. Nat Commun, 11, 2020
|
|
5J0J
| De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | Descriptor: | designed protein 2L6HC3_6 | Authors: | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | Deposit date: | 2016-03-28 | Release date: | 2016-05-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.256 Å) | Cite: | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
|
|
5D93
| |
428D
| STRUCTURE OF THE POTASSIUM FORM OF CGCGAATTCGCG: DNA DEFORMATION BY ELECTROSTATIC COLLAPSE AROUND SMALL CATIONS | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, SPERMINE | Authors: | Shui, X, Sines, C.C, McFail-Isom, L, VanDerveer, D, Williams, L.D. | Deposit date: | 1998-09-28 | Release date: | 1998-10-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of the potassium form of CGCGAATTCGCG: DNA deformation by electrostatic collapse around inorganic cations. Biochemistry, 37, 1998
|
|
5J2U
| Tubulin-MMAF complex | Descriptor: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Waight, A.B, Bargsten, K, Doronina, S, Steinmetz, M.O, Sussman, D, Prota, A.E. | Deposit date: | 2016-03-30 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis of Microtubule Destabilization by Potent Auristatin Anti-Mitotics. Plos One, 11, 2016
|
|
5J4N
| |
5DBK
| |
6BN8
| Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET55 PROTAC. | Descriptor: | Bromodomain-containing protein 4, DNA damage-binding protein 1,DNA damage-binding protein 1, Protein cereblon, ... | Authors: | Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S. | Deposit date: | 2017-11-16 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.990035 Å) | Cite: | Plasticity in binding confers selectivity in ligand-induced protein degradation. Nat. Chem. Biol., 14, 2018
|
|
5JKI
| Crystal structure of the first transmembrane PAP2 type phosphatidylglycerolphosphate phosphatase from Bacillus subtilis | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Putative lipid phosphate phosphatase YodM, TUNGSTATE(VI)ION, ... | Authors: | El Ghachi, M, Howe, N, Lampion, A, Delbrassine, F, Vogeley, L, Caffrey, M, Sauvage, E, Auger, R, Guiseppe, A, Roure, S, Perlier, S, Mengin-lecreulx, D, Foglino, M, Touze, T. | Deposit date: | 2016-04-26 | Release date: | 2017-02-22 | Last modified: | 2017-05-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure and biochemical characterization of the transmembrane PAP2 type phosphatidylglycerol phosphate phosphatase from Bacillus subtilis. Cell. Mol. Life Sci., 74, 2017
|
|
3KU4
| Trapping of an oxocarbenium ion intermediate in UP crystals | Descriptor: | SULFATE ION, Uridine phosphorylase | Authors: | Paul, D, O'Leary, S, Rajashankar, K, Bu, W, Toms, A, Settembre, E, Sanders, J, Begley, T.P, Ealick, S.E. | Deposit date: | 2009-11-26 | Release date: | 2010-04-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Glycal formation in crystals of uridine phosphorylase. Biochemistry, 49, 2010
|
|
5DEJ
| Transthyretin natural mutant A19D | Descriptor: | CALCIUM ION, Transthyretin | Authors: | Pereira, H.M, Ferreira, P, Andrade, C, Lima, C, Palhano, F, Foguel, D. | Deposit date: | 2015-08-25 | Release date: | 2016-08-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Crystal structure of human Transthyretin natural mutant A19D To Be Published
|
|
5D6F
| Structure of human methionine aminopeptidase-2 complexed with spiroepoxytriazole inhibitor (+)-31b | Descriptor: | (4S,7R)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate, 1,2-ETHANEDIOL, COBALT (II) ION, ... | Authors: | Janowski, R, Miller, A.K, Niessing, D. | Deposit date: | 2015-08-12 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Spiroepoxytriazoles Are Fumagillin-like Irreversible Inhibitors of MetAP2 with Potent Cellular Activity. Acs Chem.Biol., 11, 2016
|
|
6I7L
| Crystal structure of monomeric FICD mutant L258D complexed with MgAMP-PNP | Descriptor: | Adenosine monophosphate-protein transferase FICD, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Perera, L.A, Yan, Y, Read, R.J, Ron, D. | Deposit date: | 2018-11-16 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | An oligomeric state-dependent switch in the ER enzyme FICD regulates AMPylation and deAMPylation of BiP. Embo J., 38, 2019
|
|
6IF0
| Crystal structure of CERT START domain in complex with compound D16 | Descriptor: | 2-({4'-pentyl-3'-[(Z)-2-(pyridin-2-yl)ethenyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol, LIPID-TRANSFER PROTEIN CERT | Authors: | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | Deposit date: | 2018-09-18 | Release date: | 2019-02-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT Commun Chem, 2019
|
|