5FE9
 
 | | Crystal structure of human PCAF bromodomain in complex with compound SL1122 (compound 13) | | Descriptor: | 1,2-ETHANEDIOL, Histone acetyltransferase KAT2B, ~{N}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)methanesulfonamide | | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-12-16 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
|
|
5X3Y
 | | Refined solution structure of musashi1 RBD2 | | Descriptor: | RNA-binding protein Musashi homolog 1 | | Authors: | Iwaoka, R, Nagata, T, Tsuda, K, Imai, T, Okano, H, Kobayashi, N, Katahira, M. | | Deposit date: | 2017-02-09 | | Release date: | 2017-12-13 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural Insight into the Recognition of r(UAG) by Musashi-1 RBD2, and Construction of a Model of Musashi-1 RBD1-2 Bound to the Minimum Target RNA
Molecules, 22, 2017
|
|
8H9S
 | | Human ATP synthase state 1 (combined) | | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Lai, Y, Zhang, Y, Liu, F, Gao, Y, Gong, H, Rao, Z. | | Deposit date: | 2022-10-25 | | Release date: | 2023-05-31 | | Last modified: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (2.53 Å) | | Cite: | Structure of the human ATP synthase.
Mol.Cell, 83, 2023
|
|
4YVC
 | | ROCK 1 bound to thiazole inhibitor | | Descriptor: | 2-fluoro-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]benzamide, Rho-associated protein kinase 1 | | Authors: | Jacobs, M.D. | | Deposit date: | 2015-03-19 | | Release date: | 2015-06-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors.
J.Med.Chem., 58, 2015
|
|
6HC8
 | | Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPA1 (313-339) | | Descriptor: | GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ... | | Authors: | Leissing, T.M, Clifton, I.J, Saward, B.G, Lu, X, Hopkinson, R.J, Schofield, C.J. | | Deposit date: | 2018-08-14 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPA1 (313-339)
To Be Published
|
|
7V80
 | | Local refinement of SARS-CoV-2 S-Beta variant (B.1.351) RBD and Angiotensin-converting enzyme 2 (ACE2) ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Green fluorescent protein, ... | | Authors: | Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. | | Deposit date: | 2021-08-22 | | Release date: | 2021-10-06 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Local refinement of SARS-CoV-2 S-Beta variant (B.1.351) RBD and Angiotensin-converting enzyme 2 (ACE2) ectodomain
To Be Published
|
|
1OTH
 | | CRYSTAL STRUCTURE OF HUMAN ORNITHINE TRANSCARBAMOYLASE COMPLEXED WITH N-PHOSPHONACETYL-L-ORNITHINE | | Descriptor: | N-(PHOSPHONOACETYL)-L-ORNITHINE, PROTEIN (ORNITHINE TRANSCARBAMOYLASE) | | Authors: | Shi, D, Morizono, H, Ha, Y, Aoyagi, M, Tuchman, N, Allewell, N.M. | | Deposit date: | 1998-10-06 | | Release date: | 1999-10-06 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 1.85-A resolution crystal structure of human ornithine transcarbamoylase complexed with N-phosphonacetyl-L-ornithine. Catalytic mechanism and correlation with inherited deficiency.
J.Biol.Chem., 273, 1998
|
|
7V84
 | | Local refinement of SARS-CoV-2 S-Gamma variant (P.1) RBD and Angiotensin-converting enzyme 2 (ACE2) ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Green fluorescent protein, ... | | Authors: | Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. | | Deposit date: | 2021-08-22 | | Release date: | 2021-10-06 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Local refinement of SARS-CoV-2 S-Gamma variant (P.1) RBD and Angiotensin-converting enzyme 2 (ACE2) ectodomain
To Be Published
|
|
3BQ5
 | | Crystal Structure of T. maritima Cobalamin-Independent Methionine Synthase complexed with Zn2+ and Homocysteine (Monoclinic) | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-4-MERCAPTO-BUTYRIC ACID, 5-methyltetrahydropteroyltriglutamate-homocysteine methyltransferase, ... | | Authors: | Pejchal, R, Smith, J.L, Ludwig, M.L. | | Deposit date: | 2007-12-19 | | Release date: | 2008-03-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Metal active site elasticity linked to activation of homocysteine in methionine synthases.
Proc.Natl.Acad.Sci.Usa, 105, 2008
|
|
4YN5
 | | Catalytic domain of Bacillus sp. JAMB-750 GH26 Endo-beta-1,4-mannanase | | Descriptor: | CACODYLATE ION, Mannan endo-1,4-beta-mannosidase | | Authors: | Shimane, Y, Ohta, Y, Usami, R, Hatada, Y. | | Deposit date: | 2015-03-09 | | Release date: | 2016-03-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of Bacillus sp. JAMB-750 GH26 Endo-beta-1,4-mannanase
To Be Published
|
|
8K53
 | |
5LF7
 | | Human 20S proteasome complex with Ixazomib at 2.0 Angstrom | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | | Deposit date: | 2016-06-30 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
|
|
7V9M
 | | Cryo-EM structure of the GHRH-bound human GHRHR splice variant 1 complex | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | Authors: | Cong, Z.T, Zhou, F.L, Zhang, C, Zou, X.Y, Zhang, H.B, Wang, Y.Z, Zhou, Q.T, Cai, X.Q, Liu, Q.F, Li, J, Shao, L.J, Mao, C.Y, Wang, X, Wu, J.H, Xia, T, Zhao, L.H, Jiang, H.L, Zhang, Y, Xu, H.E, Chen, X, Yang, D.H, Wang, M.W. | | Deposit date: | 2021-08-26 | | Release date: | 2021-10-20 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Constitutive signal bias mediated by the human GHRHR splice variant 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
6TPX
 | |
6TQ2
 | |
8SW4
 | | BG505 GT1.1 SOSIP in complex with NHP Fabs 21N13, 21M20 and RM20A3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 21M20 heavy chain variable region, ... | | Authors: | Ozorowski, G, Torres, J.L, Zhang, S, Ward, A.B. | | Deposit date: | 2023-05-17 | | Release date: | 2024-05-29 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Germline-targeting HIV vaccination induces neutralizing antibodies to the CD4 binding site.
Sci Immunol, 9, 2024
|
|
4YVK
 | |
7BUC
 | | Crystal structure of EHMT2 SET domain in complex with compound 13 | | Descriptor: | Histone-lysine N-methyltransferase EHMT2, N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine, S-ADENOSYLMETHIONINE, ... | | Authors: | Suzuki, M, Mizuno, M, Katayama, K. | | Deposit date: | 2020-04-06 | | Release date: | 2020-11-11 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of novel histone lysine methyltransferase G9a/GLP (EHMT2/1) inhibitors: Design, synthesis, and structure-activity relationships of 2,4-diamino-6-methylpyrimidines.
Bioorg.Med.Chem.Lett., 30, 2020
|
|
5FCW
 | | HDAC8 Complexed with a Hydroxamic Acid | | Descriptor: | 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide, GLYCEROL, HEXAETHYLENE GLYCOL, ... | | Authors: | Cole, K.E, Perry, K. | | Deposit date: | 2015-12-15 | | Release date: | 2016-10-26 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.979 Å) | | Cite: | Structure of 'linkerless' hydroxamic acid inhibitor-HDAC8 complex confirms the formation of an isoform-specific subpocket.
J.Struct.Biol., 195, 2016
|
|
6TLA
 | | CRYSTAL STRUCTURE OF LECTIN-LIKE OX-LDL RECEPTOR 1 (C 1 2 1) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Oxidized low-density lipoprotein receptor 1 | | Authors: | Nar, H, Fiegen, D, Schnapp, G. | | Deposit date: | 2019-12-02 | | Release date: | 2020-07-22 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | A small-molecule inhibitor of lectin-like oxidized LDL receptor-1 acts by stabilizing an inactive receptor tetramer state
Commun Chem, 2020
|
|
6E9W
 | | Crystal structure of Rock1 with a pyridinylbenzamide based inhibitor | | Descriptor: | N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, Rho-associated protein kinase 1, SULFATE ION | | Authors: | Judge, R.A, Hobson, A.D. | | Deposit date: | 2018-08-01 | | Release date: | 2018-11-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
|
|
5TMA
 | | Zymomonas mobilis pyruvate decarboxylase mutant PDC-2.3 | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Pyruvate decarboxylase, ... | | Authors: | Alahuhta, P.M, Lunin, V.V. | | Deposit date: | 2016-10-12 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | An iterative computational design approach to increase the thermal endurance of a mesophilic enzyme.
Biotechnol Biofuels, 11, 2018
|
|
6TNR
 | | PI3K delta in complex with N[5(7{2[4(2hydroxypropan2yl)piperidin1 yl]ethoxy}1,3dihydro2benzofuran5yl)2 methoxypyridin3yl]methanesulfonamide | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[2-methoxy-5-[7-[2-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide | | Authors: | Convery, M.A, Rowland, P, Henley, Z.A, Barton, N, Down, K. | | Deposit date: | 2019-12-10 | | Release date: | 2020-01-01 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Optimization of Orally Bioavailable PI3K delta Inhibitors and Identification of Vps34 as a Key Selectivity Target.
J.Med.Chem., 63, 2020
|
|
4DZ3
 | |
2PSG
 | |
