7TJH
| S. cerevisiae ORC bound to 84 bp ARS1 DNA and Cdc6 (state 1) with flexible Orc6 N-terminal domain | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 6, DNA, ... | Authors: | Schmidt, J.M, Yang, R, Kumar, A, Hunker, O, Bleichert, F. | Deposit date: | 2022-01-16 | Release date: | 2022-10-05 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | A mechanism of origin licensing control through autoinhibition of S. cerevisiae ORC·DNA·Cdc6. Nat Commun, 13, 2022
|
|
5K8V
| Crystal Structure of Mus musculus Protein Arginine Methyltransferase 4 (CARM1 130-487) with CP1 | Descriptor: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ... | Authors: | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-05-31 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural studies of protein arginine methyltransferase 2 reveal its interactions with potential substrates and inhibitors. FEBS J., 284, 2017
|
|
5QD1
| Crystal structure of BACE complex with BMC011 | Descriptor: | (10S,12S)-12-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-7-oxa-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one, Beta-secretase 1 | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-12-01 | Release date: | 2020-06-03 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
|
|
5QCZ
| Crystal structure of BACE complex with BMC015 | Descriptor: | (4S)-4-{(S)-hydroxy[(3R,6R)-6-(methoxymethyl)morpholin-3-yl]methyl}-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one, Beta-secretase 1 | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-12-01 | Release date: | 2020-06-03 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
|
|
5QCT
| Crystal structure of BACE complex with BMC001 | Descriptor: | (2R,4S)-N-butyl-4-[(4S,6R)-16-ethoxy-12-ethyl-6-methyl-2,13-dioxo-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-trien-4-yl]-4-hydroxy-2-methylbutanamide, Beta-secretase 1, PHOSPHATE ION | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-12-01 | Release date: | 2020-06-03 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
|
|
7UXB
| Human triosephosphate isomerase mutant G122R | Descriptor: | GLYCEROL, ISOPROPYL ALCOHOL, Triosephosphate isomerase | Authors: | Romero, J.M. | Deposit date: | 2022-05-05 | Release date: | 2023-05-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Human triosephosphate isomerase mutant G122R To Be Published
|
|
7UXV
| human triosephosphate isomerase mutant G122R | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Romero, J.M. | Deposit date: | 2022-05-06 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | human triosephosphate isomerase mutant G122R To Be Published
|
|
7UAD
| Crystal structure of human PTPN2 with inhibitor ABBV-CLS-484 | Descriptor: | 5-{(7R)-1-fluoro-3-hydroxy-7-[(3-methylbutyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl}-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione, Tyrosine-protein phosphatase non-receptor type 2 | Authors: | Longenecker, K.L, Qiu, W, Sun, Q, Frost, J.M. | Deposit date: | 2022-03-12 | Release date: | 2023-07-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.044 Å) | Cite: | The PTPN2/PTPN1 inhibitor ABBV-CLS-484 unleashes potent anti-tumour immunity. Nature, 622, 2023
|
|
7UGW
| M. tuberculosis DNA gyrase cleavage core bound to DNA and evybactin | Descriptor: | DNA (46-MER), DNA gyrase subunit A, DNA gyrase subunit B, ... | Authors: | Hauk, G, Imai, Y, Lewis, K, Berger, J.M. | Deposit date: | 2022-03-25 | Release date: | 2022-08-17 | Last modified: | 2024-10-02 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Evybactin is a DNA gyrase inhibitor that selectively kills Mycobacterium tuberculosis. Nat.Chem.Biol., 18, 2022
|
|
7UNG
| 48-nm repeat of the human respiratory doublet microtubule | Descriptor: | Cilia- and flagella-associated protein 161, Cilia- and flagella-associated protein 20, Cilia- and flagella-associated protein 45, ... | Authors: | Gui, M, Croft, J.T, Zabeo, D, Acharya, V, Kollman, J.M, Burgoyne, T, Hoog, J.L, Brown, A. | Deposit date: | 2022-04-11 | Release date: | 2022-10-05 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | SPACA9 is a lumenal protein of human ciliary singlet and doublet microtubules. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7UN1
| 8-nm repeat of the human sperm tip singlet microtubule | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Gui, M, Croft, J.T, Zabeo, D, Acharya, V, Kollman, J.M, Burgoyne, T, Hoog, J.L, Brown, A. | Deposit date: | 2022-04-08 | Release date: | 2022-10-05 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (6 Å) | Cite: | SPACA9 is a lumenal protein of human ciliary singlet and doublet microtubules. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
5QCR
| Crystal structure of BACE complex with BMC026 | Descriptor: | 2-(butylamino)-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-6-methoxypyridine-4-carboxamide, Beta-secretase 1, SULFATE ION | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-12-01 | Release date: | 2020-06-03 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
|
|
5QD0
| Crystal structure of BACE complex withBMC006 | Descriptor: | (5S,8S,10R)-8-[(1R)-1-hydroxy-2-{[(5-propyl-1H-pyrazol-3-yl)methyl]amino}ethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione, Beta-secretase 1 | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-12-01 | Release date: | 2020-06-03 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
|
|
5QCV
| Crystal structure of BACE complex with BMC023 | Descriptor: | (10S,13S)-13-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9,10-dimethyl-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-8,11-dione, Beta-secretase 1 | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-12-01 | Release date: | 2020-06-03 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
|
|
6GKB
| Iron soak structure of Y40F SynFtn | Descriptor: | FE (III) ION, Ferritin | Authors: | Hemmings, A.M, Bradley, J.M. | Deposit date: | 2018-05-18 | Release date: | 2019-01-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Reaction of O2with a diiron protein generates a mixed-valent Fe2+/Fe3+center and peroxide. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
6GL7
| Neurturin-GFRa2-RET extracellular complex | Descriptor: | GDNF family receptor alpha-2, Neurturin, Proto-oncogene tyrosine-protein kinase receptor Ret | Authors: | Bigalke, J.M, Aibara, S, Sandmark, J, Amunts, A. | Deposit date: | 2018-05-23 | Release date: | 2019-08-14 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (6.3 Å) | Cite: | Cryo-EM structure of the activated RET signaling complex reveals the importance of its cysteine-rich domain. Sci Adv, 5, 2019
|
|
6GSD
| Plantago Major multifunctional oxidoreductase in complex with progesterone and NADP+ | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROGESTERONE, Progesterone 5-beta-reductase | Authors: | Fellows, R, Silva, C, Russo, C.M, Lee, S.G, Jez, J.M, Chisholm, J.D, Zubieta, C, Nanao, M. | Deposit date: | 2018-06-14 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A multisubstrate reductase from Plantago major: structure-function in the short chain reductase superfamily. Sci Rep, 8, 2018
|
|
6GNX
| Crystal structure of the MAJIN-TERB2 heterotetrameric complex - selenomethionine derivative | Descriptor: | Membrane-anchored junction protein, Telomere repeats-binding bouquet formation protein 2 | Authors: | Gurusaran, M, Dunce, J.M, Sen, L.T, Davies, O.R. | Deposit date: | 2018-06-01 | Release date: | 2018-12-12 | Last modified: | 2020-04-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of meiotic telomere attachment to the nuclear envelope by MAJIN-TERB2-TERB1. Nat Commun, 9, 2018
|
|
6GRA
| Human AURKA bound to BRD-7880 | Descriptor: | 1-[(2~{R},3~{S})-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2~{S})-1-oxidanylpropan-2-yl]-3,4-dihydro-2~{H}-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea, Aurora kinase A | Authors: | Abdul Azeez, K.R, Sorrell, F.J, von Delft, F, Bountra, C, Knapp, S, Edwards, A.M, Arrowsmith, C, Elkins, J.M. | Deposit date: | 2018-06-10 | Release date: | 2019-05-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Aurora kinase A bound to BRD-7880 To Be Published
|
|
6GKA
| 20 minute Fe2+ soak structure of SynFtn | Descriptor: | CHLORIDE ION, FE (III) ION, Ferritin | Authors: | Hemmings, A.M, Bradley, J.M. | Deposit date: | 2018-05-18 | Release date: | 2019-01-23 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Reaction of O2with a diiron protein generates a mixed-valent Fe2+/Fe3+center and peroxide. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
6GNY
| Crystal structure of the MAJIN-TERB2 heterotetrameric complex | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Membrane-anchored junction protein, Telomere repeats-binding bouquet formation protein 2 | Authors: | Dunce, J.M, Gurusaran, M, Sen, L.T, Davies, O.R. | Deposit date: | 2018-06-01 | Release date: | 2018-12-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis of meiotic telomere attachment to the nuclear envelope by MAJIN-TERB2-TERB1. Nat Commun, 9, 2018
|
|
6GRO
| Human CSNK1G3 bound to SB-223133 | Descriptor: | 1,2-ETHANEDIOL, 4-[5-(2-azanylpyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol, CHLORIDE ION, ... | Authors: | Szklarz, M, Vollmar, M, von Delft, F, Bountra, C, Knapp, S, Edwards, A.M, Arrowsmith, C, Elkins, J.M. | Deposit date: | 2018-06-12 | Release date: | 2018-06-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | CSNK1G3 bound to SB-223133 To Be Published
|
|
6GR9
| Human AURKC INCENP complex bound to VX-680 | Descriptor: | Aurora kinase C, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, Inner centromere protein, ... | Authors: | Abdul Azeez, K.R, Sorrell, F.J, von Delft, F, Bountra, C, Knapp, S, Edwards, A.M, Arrowsmith, C, Elkins, J.M. | Deposit date: | 2018-06-10 | Release date: | 2019-05-15 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | AURKC INCENP complex bound to BRD-7880 To Be Published
|
|
1ZEH
| STRUCTURE OF INSULIN | Descriptor: | CHLORIDE ION, INSULIN, M-CRESOL, ... | Authors: | Whittingham, J.L, Edwards, E.J, Antson, A.A, Clarkson, J.M, Dodson, G.G. | Deposit date: | 1998-05-01 | Release date: | 1998-12-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Interactions of phenol and m-cresol in the insulin hexamer, and their effect on the association properties of B28 pro --> Asp insulin analogues. Biochemistry, 37, 1998
|
|
6HG7
| Crystal structure of a collagen II fragment containing the binding site of PEDF and COMP, (POG)4-LKG HRG FTG LQG-POG(4) | Descriptor: | Collagen alpha-1(II) chain, SULFATE ION | Authors: | Gebauer, J.M, Koehler, A, Dietmar, H, Gompert, M, Neundorf, I, Zaucke, F, Koch, M, Baumann, U. | Deposit date: | 2018-08-22 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | COMP and TSP-4 interact specifically with the novel GXKGHR motif only found in fibrillar collagens. Sci Rep, 8, 2018
|
|