4E0O
 
 | | SVQIVYK segment from human Tau (305-311) displayed on 54-membered macrocycle scaffold (form III) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide SVQIVYK(ORN)EF(HAO)(4BF)K(ORN), PHOSPHATE ION | | Authors: | Zhao, M, Liu, C, Sawaya, M.R, Eisenberg, D. | | Deposit date: | 2012-03-04 | | Release date: | 2012-12-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates.
Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
1FLV
 | |
4ABI
 | | Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (PtA)SFTI-1(1,14), that was 1,4-disubstituted with a 1,2,3- trizol to mimic a trans amide bond | | Descriptor: | CALCIUM ION, CATIONIC TRYPSIN, DIMETHYLFORMAMIDE, ... | | Authors: | Schmelz, S, Empting, M, Tischler, M, Nasu, D, Heinz, D, Kolmar, H. | | Deposit date: | 2011-12-08 | | Release date: | 2012-03-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Braces for the Peptide Backbone: Insights Into Structure-Activity Relation-Ships of Protease Inhibitor Mimics with Locked Amide Conformations
Angew.Chem.Int.Ed.Engl., 51, 2012
|
|
4ABJ
 | | Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (IcA)SFTI-1(1,14), that was 1,5-disubstituted with 1,2,3- trizol to mimic a cis amide bond | | Descriptor: | CALCIUM ION, CATIONIC TRYPSIN, DIMETHYLFORMAMIDE, ... | | Authors: | Schmelz, S, Empting, M, Tischler, M, Nasu, D, Heinz, D, Kolmar, H. | | Deposit date: | 2011-12-08 | | Release date: | 2012-03-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Braces for the Peptide Backbone: Insights Into Structure-Activity Relation-Ships of Protease Inhibitor Mimics with Locked Amide Conformations
Angew.Chem.Int.Ed.Engl., 51, 2012
|
|
6BI7
 | | Crystal structure of Rev7-WT/Rev3 as a monomer under high-salt conditions | | Descriptor: | DNA polymerase zeta catalytic subunit, Mitotic spindle assembly checkpoint protein MAD2B | | Authors: | Rizzo, A.A, Korzhnev, D.M, Hao, B, Li, Y. | | Deposit date: | 2017-11-01 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Rev7 dimerization is important for assembly and function of the Rev1/Pol zeta translesion synthesis complex.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
2YO1
 | |
3HSE
 | | Crystal structure of Staphylococcus aureus protein SarZ in reduced form | | Descriptor: | HTH-type transcriptional regulator sarZ | | Authors: | Poor, C.B, Duguid, E, Rice, P.A, He, C. | | Deposit date: | 2009-06-10 | | Release date: | 2009-07-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structures of the reduced, sulfenic acid, and mixed disulfide forms of SarZ, a redox active global regulator in Staphylococcus aureus.
J.Biol.Chem., 284, 2009
|
|
5O4M
 | | Fresh crystals of HcgC from Methanococcus maripaludis cocrystallized with SAH and pyridinol | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-carboxy methyl-4-hydroxy-2-pyridinol, DIMETHYL SULFOXIDE, ... | | Authors: | Wagner, T, Bai, L, Xu, T, Hu, X, Ermler, U, Shima, S. | | Deposit date: | 2017-05-29 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Water-Bridged H-Bonding Network Contributes to the Catalysis of the SAM-Dependent C-Methyltransferase HcgC.
Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
1EB2
 | | Trypsin inhibitor complex (BPO) | | Descriptor: | 3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPERIDINYL)-2-OXO-1-PHENYLETHYL]BENZAMIDE, CALCIUM ION, SULFATE ION, ... | | Authors: | Wilkinson, K.W, Young, S.C, Liebeschuetz, J.W, Brady, R.L. | | Deposit date: | 2001-07-18 | | Release date: | 2002-02-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Pro_Select: Combining Structure-Based Drug Design and Array-Based Chemistry for Rapid Lead Discovery. 2. The Development of a Series of Highly Potent and Selective Factor Xa Inhibitors
J.Med.Chem., 45, 2002
|
|
1P5J
 | | Crystal Structure Analysis of Human Serine Dehydratase | | Descriptor: | L-serine dehydratase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Sun, L, Liu, Y, Rao, Z. | | Deposit date: | 2003-04-27 | | Release date: | 2004-06-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystallization and preliminary crystallographic analysis of human serine dehydratase.
Acta Crystallogr.,Sect.D, 59, 2003
|
|
2YJT
 | |
1P8D
 | | X-Ray Crystal Structure of LXR Ligand Binding Domain with 24(S),25-epoxycholesterol | | Descriptor: | 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYC LOPENTA[A]PHENANTHREN-3-OL, Oxysterols receptor LXR-beta, nuclear receptor coactivator 1 isoform 3 | | Authors: | Williams, S, Bledsoe, R.K, Collins, J.L, Boggs, S, Lambert, M.H, Miller, A.B, Moore, J, McKee, D.D, Moore, L, Nichols, J, Parks, D, Watson, M, Wisely, B, Willson, T.M. | | Deposit date: | 2003-05-06 | | Release date: | 2003-07-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-ray crystal structure of the liver X receptor beta ligand binding domain: regulation by
a histidine-tryptophan switch.
J.Biol.Chem., 278, 2003
|
|
1SBN
 | |
9LDT
 | | DESIGN AND SYNTHESIS OF NEW ENZYMES BASED ON THE LACTATE DEHYDROGENASE FRAMEWORK | | Descriptor: | LACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXAMIC ACID, ... | | Authors: | Dunn, C.R, Holbrook, J.J, Muirhead, H. | | Deposit date: | 1991-11-26 | | Release date: | 1993-10-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and synthesis of new enzymes based on the lactate dehydrogenase framework.
Philos.Trans.R.Soc.London,Ser.B, 332, 1991
|
|
4ABF
 | | Fragments bound to bovine trypsin for the SAMPL challenge | | Descriptor: | 1,2-ETHANEDIOL, 1-(5-BROMO-1-BENZOTHIOPHEN-3-YL)METHANAMINE, CALCIUM ION, ... | | Authors: | Newman, J, Peat, T.S. | | Deposit date: | 2011-12-08 | | Release date: | 2012-02-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
|
|
9LDB
 | | DESIGN AND SYNTHESIS OF NEW ENZYMES BASED ON THE LACTATE DEHYDROGENASE FRAMEWORK | | Descriptor: | LACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXAMIC ACID, ... | | Authors: | Dunn, C.R, Holbrook, J.J, Muirhead, H. | | Deposit date: | 1991-11-26 | | Release date: | 1993-10-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design and synthesis of new enzymes based on the lactate dehydrogenase framework.
Philos.Trans.R.Soc.London,Ser.B, 332, 1991
|
|
1YTT
 | | YB SUBSTITUTED SUBTILISIN FRAGMENT OF MANNOSE BINDING PROTEIN-A (SUB-MBP-A), MAD STRUCTURE AT 110K | | Descriptor: | MANNOSE-BINDING PROTEIN A, YTTERBIUM (III) ION | | Authors: | Burling, F.T, Weis, W.I, Flaherty, K.M, Brunger, A.T. | | Deposit date: | 1995-11-09 | | Release date: | 1996-06-10 | | Last modified: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Direct observation of protein solvation and discrete disorder with experimental crystallographic phases.
Science, 271, 1996
|
|
9BEI
 | |
5AKR
 | | ATOMIC RESOLUTION STRUCTURE OF NITRITE BOUND STATE OF THE ACHROMOBACTER CYCLOCLASTES CU NITRITE REDUCTASE AT 0.87 A RESOLUTION | | Descriptor: | ACETATE ION, COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, ... | | Authors: | Blakeley, M.P, Hasnain, S.S, Antonyuk, S.V. | | Deposit date: | 2015-03-05 | | Release date: | 2015-07-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (0.87 Å) | | Cite: | Sub-Atomic Resolution X-Ray Crystallography and Neutron Crystallography: Promise, Challenges and Potential.
Iucrj, 2, 2015
|
|
6OWO
 | | CRYO-EM STRUCTURE OF PHOSPHORYLATED AP-2 CORE BOUND TO NECAP | | Descriptor: | AP-2 complex subunit alpha-2, AP-2 complex subunit beta, AP-2 complex subunit mu, ... | | Authors: | Partlow, E.A, Baker, R.W, Beacham, G.M, Chappie, J.S, Leschziner, A.E, Hollopeter, G. | | Deposit date: | 2019-05-10 | | Release date: | 2019-09-11 | | Last modified: | 2020-01-08 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | A structural mechanism for phosphorylation-dependent inactivation of the AP2 complex.
Elife, 8, 2019
|
|
1YJA
 | | SUBTILISIN BPN' 8397+1 (E.C. 3.4.21.14) (MUTANT WITH MET 50 REPLACED BY PHE, ASN 76 REPLACED BY ASP, GLY 169 REPLACED BY ALA, GLN 206 REPLACED BY CYS, ASN 218 REPLACED BY SER AND LYS 256 REPLACED BY TYR) (M50F, N76D, G169A, Q206C, N218S, AND K256Y) IN 20% DIMETHYLFORMAMIDE | | Descriptor: | CALCIUM ION, SUBTILISIN 8397+1 | | Authors: | Kidd, R.D, Farber, G.K. | | Deposit date: | 1996-01-16 | | Release date: | 1996-07-11 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Breaking the low barrier hydrogen bond in a serine protease.
Protein Sci., 8, 1999
|
|
1YJC
 | | SUBTILISIN BPN' 8397+1 (E.C. 3.4.21.14) (MUTANT WITH MET 50 REPLACED BY PHE, ASN 76 REPLACED BY ASP, GLY 169 REPLACED BY ALA, GLN 206 REPLACED BY CYS, ASN 218 REPLACED BY SER AND LYS 256 REPLACED BY TYR) (M50F, N76D, G169A, Q206C, N218S, AND K256Y) IN 50% DIMETHYLFORMAMIDE | | Descriptor: | CALCIUM ION, SUBTILISIN 8397+1 | | Authors: | Kidd, R.D, Farber, G.K. | | Deposit date: | 1996-01-16 | | Release date: | 1996-07-11 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Breaking the low barrier hydrogen bond in a serine protease.
Protein Sci., 8, 1999
|
|
6OUA
 | | Cryo-EM structure of the yeast Ctf3 complex | | Descriptor: | Inner kinetochore subunit CTF3, Inner kinetochore subunit MCM16, Inner kinetochore subunit MCM22 | | Authors: | Hinshaw, S.M, Harrison, S.C. | | Deposit date: | 2019-05-04 | | Release date: | 2019-05-15 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.18 Å) | | Cite: | The structure of the yeast Ctf3 complex.
Elife, 8, 2019
|
|
6AHS
 | | Mouse Kallikrein 7 in complex with imidazolinylindole derivative | | Descriptor: | 1-[(2-chlorophenyl)sulfonyl]-5-methyl-3-[(4R)-2-methyl-4,5-dihydro-1H-imidazol-4-yl]-1H-indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Sugawara, H. | | Deposit date: | 2018-08-20 | | Release date: | 2019-01-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery and structure-activity relationship of imidazolinylindole derivatives as kallikrein 7 inhibitors.
Bioorg. Med. Chem. Lett., 29, 2019
|
|
5NOJ
 | | Ca2+-induced Movement of Tropomyosin on Native Cardiac Thin Filaments - "OPEN" state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Risi, C, Eisner, J, Belknap, B, Heeley, D.H, White, H.D, Schroeder, G.F, Galkin, V.E. | | Deposit date: | 2017-04-12 | | Release date: | 2017-08-02 | | Last modified: | 2017-08-09 | | Method: | ELECTRON MICROSCOPY (11 Å) | | Cite: | Ca(2+)-induced movement of tropomyosin on native cardiac thin filaments revealed by cryoelectron microscopy.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
