6UHP
 
 | | Crystal Structure of C148 mGFP-ncDNA-1 | | Descriptor: | C148 mGFP-ncDNA-1 | | Authors: | Winegar, P.W, Hayes, O.G, McMillan, J.R, Figg, C.A, Focia, P.J, Mirkin, C.A. | | Deposit date: | 2019-09-27 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | DNA-Directed Protein Packing within Single Crystals.
Chem, 6, 2020
|
|
6UK4
 | |
6UKI
 | |
1AIU
 | | HUMAN THIOREDOXIN (D60N MUTANT, REDUCED FORM) | | Descriptor: | THIOREDOXIN | | Authors: | Andersen, J.F, Gasdaska, J.R, Sanders, D.A.R, Weichsel, A, Powis, G, Montfort, W.R. | | Deposit date: | 1997-04-25 | | Release date: | 1997-07-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human thioredoxin homodimers: regulation by pH, role of aspartate 60, and crystal structure of the aspartate 60 --> asparagine mutant.
Biochemistry, 36, 1997
|
|
6U07
 | | Computational Stabilization of T Cell Receptor Constant Domains | | Descriptor: | MAGNESIUM ION, Stabilized T cell receptor constant domain (Calpha), Stabilized T cell receptor constant domain (Cbeta) | | Authors: | Froning, K, Maguire, J, Sereno, A, Huang, F, Chang, S, Weichert, K, Frommelt, A.J, Dong, J, Wu, X, Austin, H, Conner, E.M, Fitchett, J.R, Heng, A.R, Balasubramaniam, D, Hilgers, M.T, Kuhlman, B, Demarest, S.J. | | Deposit date: | 2019-08-13 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Computational stabilization of T cell receptors allows pairing with antibodies to form bispecifics.
Nat Commun, 11, 2020
|
|
6A2W
 | | Crystal structure of fucoxanthin chlorophyll a/c complex from Phaeodactylum tricornutum | | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Wang, W, Yu, L.J, Kuang, T.Y, Shen, J.R. | | Deposit date: | 2018-06-13 | | Release date: | 2019-02-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for blue-green light harvesting and energy dissipation in diatoms.
Science, 363, 2019
|
|
6UHL
 | | Crystal Structure of C148 mGFP-scDNA-1 | | Descriptor: | C148 mGFP-scDNA-1, UNKNOWN LIGAND | | Authors: | Winegar, P.W, Hayes, O.G, McMillan, J.R, Figg, C.A, Focia, P.J, Mirkin, C.A. | | Deposit date: | 2019-09-27 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | DNA-Directed Protein Packing within Single Crystals.
Chem, 6, 2020
|
|
4K8J
 | | Crystal Structure of Staphylococcal nuclease mutant V23L/V66I | | Descriptor: | Thermonuclease | | Authors: | Sanders, J.M, Gill, E, Roeser, J.R, Janowska, K, Sakon, J, Stites, W.E. | | Deposit date: | 2013-04-18 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Hydrophobic core mutants of Staphylococcal nuclease
To be Published
|
|
1AVO
 | | PROTEASOME ACTIVATOR REG(ALPHA) | | Descriptor: | 11S REGULATOR | | Authors: | Hill, C.P, Knowlton, J.R. | | Deposit date: | 1997-09-18 | | Release date: | 1997-12-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the proteasome activator REGalpha (PA28alpha).
Nature, 390, 1997
|
|
4IPE
 | | Crystal structure of mitochondrial Hsp90 (TRAP1) with AMPPNP | | Descriptor: | COBALT (II) ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Partridge, J.R, Lavery, L.A, Agard, D.A. | | Deposit date: | 2013-01-09 | | Release date: | 2014-01-22 | | Last modified: | 2014-08-27 | | Method: | X-RAY DIFFRACTION (2.289 Å) | | Cite: | Structural asymmetry in the closed state of mitochondrial Hsp90 (TRAP1) supports a two-step ATP hydrolysis mechanism.
Mol.Cell, 53, 2014
|
|
6X7Q
 | | Chloramphenicol acetyltransferase type III in complex with chloramphenicol and acetyl-oxa(dethia)-CoA | | Descriptor: | CHLORAMPHENICOL, Chloramphenicol acetyltransferase 3, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Benjamin, A.B, Stunkard, L.M, Ling, J, Nice, J.N, Lohman, J.R. | | Deposit date: | 2020-05-30 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structures of chloramphenicol acetyltransferase III and Escherichia coli beta-keto-acylsynthase III co-crystallized with partially hydrolysed acetyl-oxa(de-thia)CoA
Acta Crystallogr.,Sect.F, 2023
|
|
6X7R
 | | E. coli beta-ketoacyl-[acyl carrier protein] synthase III (FabH) in complex with oxa(dethia)-coenzyme A | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Benjamin, A.B, Stunkard, L.M, Ling, J, Nice, J.N, Lohman, J.R. | | Deposit date: | 2020-05-30 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structures of chloramphenicol acetyltransferase III and Escherichia coli beta-keto-acylsynthase III co-crystallized with partially hydrolysed acetyl-oxa(de-thia)CoA
Acta Crystallogr.,Sect.F, 2023
|
|
6X9I
 | | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ... | | Authors: | Pathuri, S, Horton, J.R, Cheng, X. | | Deposit date: | 2020-06-02 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
|
|
6X9K
 | | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3685032A | | Descriptor: | (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), ... | | Authors: | Pathuri, S, Horton, J.R, Cheng, X. | | Deposit date: | 2020-06-02 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
|
|
6X9J
 | | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3830052 | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ... | | Authors: | Pathuri, S, Horton, J.R, Cheng, X. | | Deposit date: | 2020-06-02 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
|
|
1A8A
 | | RAT ANNEXIN V COMPLEXED WITH GLYCEROPHOSPHOSERINE | | Descriptor: | ANNEXIN V, CALCIUM ION, L-ALPHA-GLYCEROPHOSPHORYLSERINE | | Authors: | Swairjo, M.A, Concha, N.O, Kaetzel, M.A, Dedman, J.R, Seaton, B.A. | | Deposit date: | 1998-03-23 | | Release date: | 1998-06-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Ca(2+)-bridging mechanism and phospholipid head group recognition in the membrane-binding protein annexin V.
Nat.Struct.Biol., 2, 1995
|
|
1A8B
 | | RAT ANNEXIN V COMPLEXED WITH GLYCEROPHOSPHOETHANOLAMINE | | Descriptor: | ANNEXIN V, CALCIUM ION, L-ALPHA-GLYCEROPHOSPHORYLETHANOLAMINE | | Authors: | Swairjo, M.A, Concha, N.O, Kaetzel, M.A, Dedman, J.R, Seaton, B.A. | | Deposit date: | 1998-03-23 | | Release date: | 1998-06-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Ca(2+)-bridging mechanism and phospholipid head group recognition in the membrane-binding protein annexin V.
Nat.Struct.Biol., 2, 1995
|
|
4JHO
 | | Structural analysis and insights into glycon specificity of the rice GH1 Os7BGlu26 beta-D-mannosidase | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-mannosidase/beta-glucosidase, GLYCEROL | | Authors: | Tankrathok, A, Luang, S, Robinson, R.C, Kimura, A, Hrmova, M, Ketudat Cairns, J.R. | | Deposit date: | 2013-03-05 | | Release date: | 2013-10-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structural analysis and insights into the glycon specificity of the rice GH1 Os7BGlu26 beta-D-mannosidase
Acta Crystallogr.,Sect.D, 69, 2013
|
|
1C3S
 | |
6XE4
 | | BTK Fluorocyclopropyl amide inhibitor, Compound 25 | | Descriptor: | (1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | | Authors: | Kiefer, J.R, Crawford, J.J, Lee, W, Eigenbrot, C, Yu, C. | | Deposit date: | 2020-06-11 | | Release date: | 2020-07-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Stereochemical Differences in Fluorocyclopropyl Amides Enable Tuning of Btk Inhibition and Off-Target Activity.
Acs Med.Chem.Lett., 11, 2020
|
|
1BM8
 | | DNA-BINDING DOMAIN OF MBP1 | | Descriptor: | TRANSCRIPTION FACTOR MBP1 | | Authors: | Xu, R.-M, Koch, C, Liu, Y, Horton, J.R, Knapp, D, Nasmyth, K, Cheng, X. | | Deposit date: | 1998-07-29 | | Release date: | 1999-03-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Crystal structure of the DNA-binding domain of Mbp1, a transcription factor important in cell-cycle control of DNA synthesis.
Structure, 5, 1997
|
|
6UYC
 | | Crystal structure of TEAD2 bound to Compound 2 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-{5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl}methanesulfonamide, Transcriptional enhancer factor TEF-4 | | Authors: | Noland, C.L, Holden, J.K, Crawford, J.J, Zbieg, J.R, Cunningham, C.N. | | Deposit date: | 2019-11-12 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.658 Å) | | Cite: | Small Molecule Dysregulation of TEAD Lipidation Induces a Dominant-Negative Inhibition of Hippo Pathway Signaling.
Cell Rep, 31, 2020
|
|
1BZD
 | |
6XBS
 | | Streptomyces coelicolor methylmalonyl-CoA epimerase (E43Q) in complex with 2-nitronate-propionyl-CoA | | Descriptor: | CHLORIDE ION, COBALT (II) ION, Methylmalonyl-CoA epimerase, ... | | Authors: | Stunkard, L.M, Boram, T.J, Benjamin, A.B, Bower, J.B, Lohman, J.R. | | Deposit date: | 2020-06-07 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Streptomyces coelicolor methylmalonyl-CoA epimerase (E43Q) in complex with 2-nitronate-propionyl-CoA
To Be Published
|
|
6UTA
 | | Crystal structure of Z004 iGL Fab in complex with ZIKV EDIII | | Descriptor: | Env, Z004 iGL Fab heavy chain, Z004 iGL Fab light chain | | Authors: | Esswein, S.R, Gristick, H.B, Keeffe, J.R, Bjorkman, P.J. | | Deposit date: | 2019-10-29 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis for Zika envelope domain III recognition by a germline version of a recurrent neutralizing antibody.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
