6AYB
 
 | | Naegleria fowleri CYP51-ketoconazole complex | | Descriptor: | 1,2-ETHANEDIOL, 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, CALCIUM ION, ... | | Authors: | Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. | | Deposit date: | 2017-09-08 | | Release date: | 2017-11-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM).
PLoS Negl Trop Dis, 11, 2017
|
|
6AZ4
 | | RNA hairpin complex with guanosine dinucleotide ligand G(5')ppp(5')G | | Descriptor: | DIGUANOSINE-5'-TRIPHOSPHATE, RNA (32-MER), RNA (5'-R(*CP*AP*GP*CP*AP*GP*CP*AP*G)-3') | | Authors: | Zhang, W, Szostak, J.W. | | Deposit date: | 2017-09-09 | | Release date: | 2018-02-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide.
J. Am. Chem. Soc., 140, 2018
|
|
2C9F
 | | THE QUASI-ATOMIC MODEL OF THE ADENOVIRUS TYPE 3 PENTON DODECAHEDRON | | Descriptor: | FIBER, PENTON PROTEIN | | Authors: | Fuschiotti, P, Schoehn, G, Fender, P, Fabry, C.M.S, Hewat, E.A, Chroboczek, J, Ruigrok, R.W.H, Conway, J.F. | | Deposit date: | 2005-12-12 | | Release date: | 2006-03-02 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (16.5 Å) | | Cite: | Structure of the Dodecahedral Penton Particle from Human Adenovirus Type 3.
J.Mol.Biol., 356, 2006
|
|
3ARX
 | | Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with Propentofylline | | Descriptor: | 3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione, Chitinase A, GLYCEROL | | Authors: | Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. | | Deposit date: | 2010-12-09 | | Release date: | 2011-04-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms
J.Biol.Chem., 286, 2011
|
|
6B3W
 | | Structure of Hs/AcPRC2 in complex with 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | | Descriptor: | 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit,Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ... | | Authors: | Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E. | | Deposit date: | 2017-09-25 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
|
|
2CDO
 | | structure of agarase carbohydrate binding module in complex with neoagarohexaose | | Descriptor: | 1,2-ETHANEDIOL, 3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, BETA-AGARASE 1, ... | | Authors: | Henshaw, J, Horne, A, Van Bueren, A.L, Money, V.A, Bolam, D.N, Czjzek, M, Weiner, R.M, Hutcheson, S.W, Davies, G.J, Boraston, A.B, Gilbert, H.J. | | Deposit date: | 2006-01-25 | | Release date: | 2006-02-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Family 6 Carbohydrate Binding Modules in Beta-Agarases Display Exquisite Selectivity for the Non- Reducing Termini of Agarose Chains.
J.Biol.Chem., 281, 2006
|
|
3ARU
 | | Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with PENTOXIFYLLINE | | Descriptor: | 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, Chitinase A | | Authors: | Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W. | | Deposit date: | 2010-12-09 | | Release date: | 2011-04-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms
J.Biol.Chem., 286, 2011
|
|
3OXZ
 | | Crystal structure of ABL kinase domain bound with a DFG-out inhibitor AP24534 | | Descriptor: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Tyrosine-protein kinase ABL1 | | Authors: | Zhou, T, Huang, W.S, Wang, Y, Thomas, M, Keats, J, Xu, Q, Rivera, V, Shakespeare, W.C, Clackson, T, Dalgarno, D.C, Zhu, X. | | Deposit date: | 2010-09-22 | | Release date: | 2010-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Mechanism of the Pan-BCR-ABL Inhibitor Ponatinib (AP24534): Lessons for Overcoming Kinase Inhibitor Resistance.
Chem.Biol.Drug Des., 77, 2011
|
|
2O20
 | | Crystal structure of transcription regulator CcpA of Lactococcus lactis | | Descriptor: | CHLORIDE ION, Catabolite control protein A, SULFATE ION | | Authors: | Loll, B, Kowalczyk, M, Alings, C, Chieduch, A, Bardowski, J, Saenger, W, Biesiadka, J. | | Deposit date: | 2006-11-29 | | Release date: | 2007-03-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the transcription regulator CcpA from Lactococcus lactis
Acta Crystallogr.,Sect.D, 63, 2007
|
|
1SU3
 | | X-ray structure of human proMMP-1: New insights into collagenase action | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Jozic, D, Bourenkov, G, Lim, N.H, Nagase, H, Bode, W, Maskos, K, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2004-03-26 | | Release date: | 2004-12-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-ray structure of human proMMP-1: new insights into procollagenase activation and collagen binding.
J.Biol.Chem., 280, 2005
|
|
6OLT
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C12-crypto Acyl Carrier Protein, AcpP | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | | Authors: | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | | Deposit date: | 2019-04-17 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
|
|
2C6P
 | | Membrane-bound glutamate carboxypeptidase II (GCPII) in complex with phosphate anion | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Mesters, J.R, Barinka, C, Li, W, Tsukamoto, T, Majer, P, Slusher, B.S, Konvalinka, J, Hilgenfeld, R. | | Deposit date: | 2005-11-11 | | Release date: | 2006-02-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structure of Glutamate Carboxypeptidase II, a Drug Target in Neuronal Damage and Prostate Cancer.
Embo J., 25, 2006
|
|
7WHJ
 | | The state 1 complex structure of Omicron spike with Bn03 (1-up RBD, 3 nanobodies) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bn03_nano1, Bn03_nano2, ... | | Authors: | Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L. | | Deposit date: | 2021-12-30 | | Release date: | 2022-05-11 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Broad neutralization of SARS-CoV-2 variants by an inhalable bispecific single-domain antibody.
Cell, 185, 2022
|
|
3GD8
 | | Crystal Structure of Human Aquaporin 4 at 1.8 and its Mechanism of Conductance | | Descriptor: | Aquaporin-4, GLYCEROL, octyl beta-D-glucopyranoside | | Authors: | Ho, J.D, Yeh, R, Sandstrom, A, Chorny, I, Harries, W.E.C, Robbins, R.A, Miercke, L.J.W, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP) | | Deposit date: | 2009-02-23 | | Release date: | 2009-03-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of human aquaporin 4 at 1.8 A and its mechanism of conductance.
Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
1TII
 | |
6BMD
 | |
7WHK
 | | The state 3 complex structure of Omicron spike with Bn03 (2-up RBD, 5 nanobodies) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bn03_nano1, Bn03_nano2, ... | | Authors: | Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L. | | Deposit date: | 2021-12-30 | | Release date: | 2022-05-11 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Broad neutralization of SARS-CoV-2 variants by an inhalable bispecific single-domain antibody.
Cell, 185, 2022
|
|
6GVE
 | | GAPDH-CP12-PRK complex | | Descriptor: | CP12 polypeptide, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | McFarlane, C.R, Shah, N, Bubeck, D, Murray, J.W. | | Deposit date: | 2018-06-20 | | Release date: | 2019-07-03 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural basis of light-induced redox regulation in the Calvin-Benson cycle in cyanobacteria.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6OOU
 | | Crystal structure of HIV-1 Protease NL4-3 L89V Mutant in complex with darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, NL4-3 PROTEASE, SULFATE ION | | Authors: | Henes, M, Kosovrasti, K, Lockbaum, G.J, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A, Whitfield, T.W. | | Deposit date: | 2019-04-23 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.127 Å) | | Cite: | Molecular Determinants of Epistasis in HIV-1 Protease: Elucidating the Interdependence of L89V and L90M Mutations in Resistance.
Biochemistry, 58, 2019
|
|
7WHI
 | | The state 2 complex structure of Omicron spike with Bn03 (2-up RBD, 4 nanobodies) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bn03_nano1, Bn03_nano2, ... | | Authors: | Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L. | | Deposit date: | 2021-12-30 | | Release date: | 2022-05-11 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Broad neutralization of SARS-CoV-2 variants by an inhalable bispecific single-domain antibody.
Cell, 185, 2022
|
|
7MCI
 | | MoFe protein from Azotobacter vinelandii with a sulfur-replenished cofactor | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Kang, W, Lee, C, Hu, Y, Ribbe, M.W. | | Deposit date: | 2021-04-02 | | Release date: | 2022-05-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Evidence of substrate binding and product release via belt-sulfur mobilization of the nitrogenase cofactor
Nat Catal, 5, 2022
|
|
4AFS
 | | Human Chymase - Fynomer Complex | | Descriptor: | CHYMASE, FYNOMER, GLYCEROL, ... | | Authors: | Schlatter, D, Brack, S, Banner, D.W, Batey, S, Benz, J, Bertschinger, J, Huber, W, Joseph, C, Rufer, A, Van Der Kloosters, A, Weber, M, Grabulovski, D, Hennig, M. | | Deposit date: | 2012-01-23 | | Release date: | 2012-07-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Generation, Characterization and Structural Data of Chymase Binding Proteins Based on the Human Fyn Kinase SH3 Domain.
Mabs, 4, 2012
|
|
5KMF
 | | Structure of CavAb in complex with nimodipine | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein, ... | | Authors: | Tang, L, Gamal EL-Din, T.M, Swanson, T.M, Pryde, D.C, Scheuer, T, Zheng, N, Catterall, W.A. | | Deposit date: | 2016-06-26 | | Release date: | 2016-08-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for inhibition of a voltage-gated Ca(2+) channel by Ca(2+) antagonist drugs.
Nature, 537, 2016
|
|
2CIW
 | | Chloroperoxidase iodide complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLOROPEROXIDASE, IODIDE ION, ... | | Authors: | Kuhnel, K, Blankenfeldt, W, Terner, J, Schlichting, I. | | Deposit date: | 2006-03-26 | | Release date: | 2006-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate.
J.Biol.Chem., 281, 2006
|
|
3AXX
 | |
