2INQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2inq by Molmil](/molmil-images/mine/2inq) | Neutron Crystal Structure of Escherichia coli Dihydrofolate Reductase Bound to the Anti-cancer drug, Methotrexate | Descriptor: | Dihydrofolate reductase, N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-6-YL)METHYL](METHYL)AMINO}BENZOYL)-L-GLUTAMIC ACID | Authors: | Bennett, B.C, Langan, P.A, Coates, L, Schoenborn, B, Dealwis, C.G. | Deposit date: | 2006-10-08 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | NEUTRON DIFFRACTION (2.2 Å) | Cite: | Neutron diffraction studies of Escherichia coli dihydrofolate reductase complexed with methotrexate. Proc.Natl.Acad.Sci.Usa, 103, 2006
|
|
2QK8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qk8 by Molmil](/molmil-images/mine/2qk8) | Crystal structure of the anthrax drug target, Bacillus anthracis dihydrofolate reductase | Descriptor: | Dihydrofolate reductase, METHOTREXATE | Authors: | Bennett, B.C, Xu, H, Simmerman, R.F, Lee, R.E, Dealwis, C.G. | Deposit date: | 2007-07-10 | Release date: | 2007-08-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the anthrax drug target, Bacillus anthracis dihydrofolate reductase. J.Med.Chem., 50, 2007
|
|
2NYQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nyq by Molmil](/molmil-images/mine/2nyq) | |
3DAT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dat by Molmil](/molmil-images/mine/3dat) | |
3DAU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dau by Molmil](/molmil-images/mine/3dau) | |
4PSY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4psy by Molmil](/molmil-images/mine/4psy) | 100K crystal structure of Escherichia coli dihydrofolate reductase | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Wilson, M.A, Wan, Q, Bennet, B.C, Dealwis, C, Ringe, D, Petsko, G.A. | Deposit date: | 2014-03-08 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography. Proc.Natl.Acad.Sci.USA, 22, 2014
|
|
2PRQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2prq by Molmil](/molmil-images/mine/2prq) | X-ray crystallographic characterization of the Co(II)-substituted Tris-bound form of the aminopeptidase from Aeromonas proteolytica | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bacterial leucyl aminopeptidase, COBALT (II) ION | Authors: | Munih, P, Moulin, A, Stamper, C.C, Bennet, B, Ringe, D, Petsko, G.A, Holz, R.C. | Deposit date: | 2007-05-04 | Release date: | 2007-06-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | X-ray crystallographic characterization of the Co(II)-substituted Tris-bound form of the aminopeptidase from Aeromonas proteolytica. J.Inorg.Biochem., 101, 2007
|
|
7SJZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sjz by Molmil](/molmil-images/mine/7sjz) | Crystal structure of aS162A mutant of Co-type nitrile hydratase from Pseudonocardia thermophila | Descriptor: | Cobalt-containing nitrile hydratase subunit alpha, Cobalt-containing nitrile hydratase subunit beta | Authors: | Ogutu, R.A.M.I, Holz, C.R, Bennett, B, St Maurice, M. | Deposit date: | 2021-10-19 | Release date: | 2021-12-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Examination of the Catalytic Role of the Axial Cystine Ligand in the Co-Type Nitrile Hydratase from Pseudonocardia thermophila JCM 3095 Catalysts, 11, 2021
|
|
5ER7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5er7 by Molmil](/molmil-images/mine/5er7) | Connexin-26 Bound to Calcium | Descriptor: | CALCIUM ION, Gap junction beta-2 protein | Authors: | Purdy, M.D, Bennett, B.C, Baker, K.A, Yeager, M.J. | Deposit date: | 2015-11-13 | Release date: | 2016-01-27 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (3.286 Å) | Cite: | An electrostatic mechanism for Ca(2+)-mediated regulation of gap junction channels. Nat Commun, 7, 2016
|
|
5ERA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5era by Molmil](/molmil-images/mine/5era) | |
1WKM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1wkm by Molmil](/molmil-images/mine/1wkm) | THE PRODUCT BOUND FORM OF THE MN(II)LOADED METHIONINE AMINOPEPTIDASE FROM HYPERTHERMOPHILE PYROCOCCUS FURIOSUS | Descriptor: | MANGANESE (II) ION, METHIONINE, Methionine aminopeptidase | Authors: | Copik, A.J, Nocek, B.P, Jang, S.B, Swierczek, S.I, Ruebush, S, Meng, L, D'souza, V.M, Peters, J.W, Bennett, B, Holz, R.C. | Deposit date: | 2004-06-01 | Release date: | 2005-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | EPR and X-ray crystallographic characterization of the product-bound form of the MnII-loaded methionyl aminopeptidase from Pyrococcus furiosus Biochemistry, 44, 2005
|
|
2UYX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2uyx by Molmil](/molmil-images/mine/2uyx) | metallo-beta-lactamase (1BC2) single point mutant D120S | Descriptor: | BETA-LACTAMASE II, GLYCEROL, ZINC ION | Authors: | Larrull, L.I, Fabiane, S.M, Kowalski, J.M, Bennett, B, Sutton, B.J, Vila, A.J. | Deposit date: | 2007-04-20 | Release date: | 2007-05-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Asp-120 locates Zn2 for optimal metallo-beta-lactamase activity. J. Biol. Chem., 282, 2007
|
|
2IQ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2iq6 by Molmil](/molmil-images/mine/2iq6) | Crystal Structure of the Aminopeptidase from Vibrio proteolyticus in Complexation with Leucyl-leucyl-leucine. | Descriptor: | Bacterial leucyl aminopeptidase, Peptide, (Leucyl-leucyl-leucine), ... | Authors: | Kumar, A, Narayanan, B, Kim, J.-J.P, Bennett, B. | Deposit date: | 2006-10-13 | Release date: | 2007-08-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Experimental evidence for a metallohydrolase mechanism in which the nucleophile is not delivered by a metal ion: EPR spectrokinetic and structural studies of aminopeptidase from Vibrio proteolyticus Biochem.J., 403, 2007
|
|
4PDJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pdj by Molmil](/molmil-images/mine/4pdj) | Neutron crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ | Descriptor: | DIHYDROFOLIC ACID, Dihydrofolate reductase, MANGANESE (II) ION, ... | Authors: | Wan, Q, Kovalevsky, A.Y, Wilson, M, Langan, P, Dealwis, C, Bennett, B. | Deposit date: | 2014-04-18 | Release date: | 2015-04-15 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.599 Å), X-RAY DIFFRACTION | Cite: | Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
1E60
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1e60 by Molmil](/molmil-images/mine/1e60) | OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES - Structure II BUFFER | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM (IV)OXIDE, ... | Authors: | Bailey, S, Bennett, B, Adams, B, Smith, A.T, Bray, R.C. | Deposit date: | 2000-08-06 | Release date: | 2000-08-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Reversible Dissociation of Thiolate Ligands from Molybdenum in an Enzyme of the Dimethyl Sulfoxide Reductase Family Biochemistry, 39, 2000
|
|
4RGC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rgc by Molmil](/molmil-images/mine/4rgc) | 277K Crystal structure of Escherichia Coli dihydrofolate reductase | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | Authors: | Wilson, M.A, Wan, Q, Bennett, B.C, Dealwis, C. | Deposit date: | 2014-09-29 | Release date: | 2014-10-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
1E5V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1e5v by Molmil](/molmil-images/mine/1e5v) | OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES BUFFER | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM (IV)OXIDE, ... | Authors: | Bailey, S, Bennett, B, Adams, B, Smith, A.T, Bray, R.C. | Deposit date: | 2000-08-03 | Release date: | 2000-08-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Reversible Dissociation of Thiolate Ligands from Molybdenum in an Enzyme of the Dimethyl Sulfoxide Reductase Family Biochemistry, 39, 2000
|
|
3TTI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tti by Molmil](/molmil-images/mine/3tti) | Crystal Structure of JNK3 complexed with CC-930, an orally active anti-fibrotic JNK inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 10, trans-4-({9-[(3S)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol | Authors: | Plantevin-Krenitsky, V, Nadolny, L, Delgado, M, Ayala, L, Clareen, S, Hilgraf, R, Albers, R, Hegde, S, D'Sidocky, N, Sapienza, J, Wright, J, McCarrick, M, Bahmanyar, S, Chamberlain, P, Delker, S.L, Muir, J, Giegel, D, Xu, L, Celeridad, M, Lachowitzer, J, Bennett, B, Moghaddam, M, Khatsenko, O, Katz, J, Fan, R, Bai, A, Tang, Y, Shirley, M.A, Benish, B, Bodine, T, Blease, K, Raymon, H, Cathers, B.E, Satoh, Y. | Deposit date: | 2011-09-14 | Release date: | 2012-02-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of CC-930, an orally active anti-fibrotic JNK inhibitor. Bioorg.Med.Chem.Lett., 22, 2012
|
|
1E61
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1e61 by Molmil](/molmil-images/mine/1e61) | OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES - Structure II BUFFER | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM (IV)OXIDE, ... | Authors: | Bailey, S, Bennett, B, Adams, B, Smith, A.T, Bray, R.C. | Deposit date: | 2000-08-06 | Release date: | 2000-08-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Reversible Dissociation of Thiolate Ligands from Molybdenum in an Enzyme of the Dimethyl Sulfoxide Reductase Family Biochemistry, 39, 2000
|
|
1CP6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1cp6 by Molmil](/molmil-images/mine/1cp6) | 1-BUTANEBORONIC ACID BINDING TO AEROMONAS PROTEOLYTICA AMINOPEPTIDASE | Descriptor: | 1-BUTANE BORONIC ACID, PROTEIN (AMINOPEPTIDASE), ZINC ION | Authors: | Depaola, C.C, Bennett, B, Holz, R.C, Ringe, D, Petsko, G.A. | Deposit date: | 1999-06-08 | Release date: | 1999-06-17 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 1-Butaneboronic acid binding to Aeromonas proteolytica aminopeptidase: a case of arrested development. Biochemistry, 38, 1999
|
|
3TTJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ttj by Molmil](/molmil-images/mine/3ttj) | Crystal Structure of JNK3 complexed with CC-359, a JNK inhibitor for the prevention of ischemia-reperfusion injury | Descriptor: | 9-cyclopentyl-N~8~-(2-fluorophenyl)-N~2~-(4-methoxyphenyl)-9H-purine-2,8-diamine, Mitogen-activated protein kinase 10 | Authors: | Plantevin-Krenitsky, V, Delgado, M, Nadolny, L, Sahasrabudhe, K, Ayala, S, Clareen, S, Hilgraf, R, Albers, R, Kois, A, Hughes, K, Wright, J, Nowakowski, J, Sudbeck, E, Ghosh, S, Bahmanyar, S, Chamberlain, P, Muir, J, Cathers, B.E, Giegel, D, Xu, L, Celeridad, M, Moghaddam, M, Khatsenko, O, Omholt, P, Katz, J, Pai, S, Fan, R, Tang, Y, Shirley, M.A, Benish, B, Blease, K, Raymon, H, Bhagwat, S, Bennett, B, Satoh, Y. | Deposit date: | 2011-09-14 | Release date: | 2012-01-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Aminopurine based JNK inhibitors for the prevention of ischemia reperfusion injury. Bioorg.Med.Chem.Lett., 22, 2012
|
|
3FH4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fh4 by Molmil](/molmil-images/mine/3fh4) | Crystal Structure of Recombinant Vibrio proteolyticus aminopeptidase | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bacterial leucyl aminopeptidase, SODIUM ION, ... | Authors: | Yong, W, Kim, J.-J.P, Hartley, M, Bennett, B. | Deposit date: | 2008-12-08 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Heterologous expression and purification of Vibrio proteolyticus (Aeromonas proteolytica) aminopeptidase: a rapid protocol Protein Expr.Purif., 66, 2009
|
|
1FT7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ft7 by Molmil](/molmil-images/mine/1ft7) | AAP COMPLEXED WITH L-LEUCINEPHOSPHONIC ACID | Descriptor: | BACTERIAL LEUCYL AMINOPEPTIDASE, LEUCINE PHOSPHONIC ACID, POTASSIUM ION, ... | Authors: | Stamper, C, Bennett, B, Holz, R, Petsko, G, Ringe, D. | Deposit date: | 2000-09-11 | Release date: | 2000-10-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inhibition of the aminopeptidase from Aeromonas proteolytica by L-leucinephosphonic acid. Spectroscopic and crystallographic characterization of the transition state of peptide hydrolysis. Biochemistry, 40, 2001
|
|