8VT8
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![BU of 8vt8 by Molmil](/molmil-images/mine/8vt8) | UIC-13-BIF-A4Dab NBD-Cl binding | Descriptor: | 4-chloro-7-nitrobenzofurazan, ACETONITRILE, UIC-13-BIF-A4Dab-NBD-Cl | Authors: | Ganatra, P. | Deposit date: | 2024-01-26 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons To Be Published
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8VW7
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![BU of 8vw7 by Molmil](/molmil-images/mine/8vw7) | UIC-11-BPE-AgNO3 silver binding with UIC-11-BPE | Descriptor: | NITRATE ION, SILVER ION, UIC-11-BPE-AgNO3 | Authors: | Ganatra, P. | Deposit date: | 2024-01-31 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons To Be Published
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8VPS
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![BU of 8vps by Molmil](/molmil-images/mine/8vps) | UIC-12-BPE extension of UIC-1 | Descriptor: | DIMETHYLFORMAMIDE, UIC-12-BPE | Authors: | Ganatra, P. | Deposit date: | 2024-01-16 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons To Be Published
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8VPX
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![BU of 8vpx by Molmil](/molmil-images/mine/8vpx) | UIC-10-BPE extension of UIC-1 | Descriptor: | UIC-10-BPE | Authors: | Ganatra, P. | Deposit date: | 2024-01-17 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.451 Å) | Cite: | Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons To Be Published
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8VW8
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![BU of 8vw8 by Molmil](/molmil-images/mine/8vw8) | UIC-13-BPE-AgNO3 silver binding with UIC-13-BPE | Descriptor: | NITRATE ION, SILVER ION, UIC-13-BPE-AgNO3 silver binding with UIC-13-BPE | Authors: | Ganatra, P. | Deposit date: | 2024-01-31 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons To Be Published
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8VQ0
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![BU of 8vq0 by Molmil](/molmil-images/mine/8vq0) | UIC-13-MER extension of UIC-1 | Descriptor: | METHANOL, UIC-13-MER | Authors: | Ganatra, P. | Deposit date: | 2024-01-17 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons To Be Published
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8VPD
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![BU of 8vpd by Molmil](/molmil-images/mine/8vpd) | UIC-11-BIF extension of UIC-1 | Descriptor: | ACETONITRILE, UIC-11-BIF | Authors: | Ganatra, P. | Deposit date: | 2024-01-16 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons To Be Published
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8VPY
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![BU of 8vpy by Molmil](/molmil-images/mine/8vpy) | UIC-16-MER extension of UIC-1 | Descriptor: | METHANOL, UIC-16-MER | Authors: | Ganatra, P. | Deposit date: | 2024-01-17 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons To Be Published
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8VPZ
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![BU of 8vpz by Molmil](/molmil-images/mine/8vpz) | UIC-1-BPE1MER mutation of UIC-1-cap | Descriptor: | METHANOL, UIC-1-BPE1MER | Authors: | Ganatra, P. | Deposit date: | 2024-01-17 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons To Be Published
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1AX9
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![BU of 1ax9 by Molmil](/molmil-images/mine/1ax9) | ACETYLCHOLINESTERASE COMPLEXED WITH EDROPHONIUM, LAUE DATA | Descriptor: | ACETYLCHOLINESTERASE, EDROPHONIUM ION | Authors: | Raves, M.L, Ravelli, R.B.G, Sussman, J.L, Harel, M, Silman, I. | Deposit date: | 1997-11-03 | Release date: | 1998-02-11 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Static Laue diffraction studies on acetylcholinesterase. Acta Crystallogr.,Sect.D, 54, 1998
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4I10
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![BU of 4i10 by Molmil](/molmil-images/mine/4i10) | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates | Descriptor: | 2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}pyrido[4,3-d]pyrimidin-4(1H)-one, Beta-secretase 1, ZINC ION | Authors: | Lougheed, J.C, Brecht, E, Yao, N.H. | Deposit date: | 2012-11-19 | Release date: | 2013-03-06 | Last modified: | 2013-04-24 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. Bioorg.Med.Chem.Lett., 23, 2013
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4I0D
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![BU of 4i0d by Molmil](/molmil-images/mine/4i0d) | |
4I12
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![BU of 4i12 by Molmil](/molmil-images/mine/4i12) | Design and synthesis of thiophene dihydroisoquinolins as novel BACE-1 inhibitors | Descriptor: | 2-{(1S)-1-{[(1Z)-6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]amino}-2-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]ethyl}pyrimidin-4(5H)-one, Beta-secretase 1, SODIUM ION, ... | Authors: | Lougheed, J.C, Brecht, E, Yao, N.H. | Deposit date: | 2012-11-19 | Release date: | 2013-03-06 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4I0G
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![BU of 4i0g by Molmil](/molmil-images/mine/4i0g) | Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors | Descriptor: | 3-(4-bromothiophen-3-yl)-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine, Beta-secretase 1, ZINC ION | Authors: | Yao, N, Brecht, E. | Deposit date: | 2012-11-16 | Release date: | 2013-03-06 | Last modified: | 2013-04-24 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. Bioorg.Med.Chem.Lett., 23, 2013
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4HZT
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![BU of 4hzt by Molmil](/molmil-images/mine/4hzt) | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates | Descriptor: | 3-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-1,2,4-oxadiazol-5(2H)-one, Beta-secretase 1, ZINC ION | Authors: | Yao, N, Brecht, E. | Deposit date: | 2012-11-15 | Release date: | 2013-03-06 | Last modified: | 2013-04-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. Bioorg.Med.Chem.Lett., 23, 2013
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4I1C
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![BU of 4i1c by Molmil](/molmil-images/mine/4i1c) | Design and synthesis of thiophene dihydroisoquinolins as novel BACE-1 inhibitors | Descriptor: | BETA-SECRETASE 1, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine, ZINC ION | Authors: | Lougheed, J.C, Brecht, E, Yao, N.H. | Deposit date: | 2012-11-20 | Release date: | 2013-03-06 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4I6H
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![BU of 4i6h by Molmil](/molmil-images/mine/4i6h) | |
4I5P
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![BU of 4i5p by Molmil](/molmil-images/mine/4i5p) | Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain | Descriptor: | (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1H-pyrrol-2-yl)-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2 | Authors: | Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P. | Deposit date: | 2012-11-28 | Release date: | 2013-12-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.738 Å) | Cite: | Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain. Chemmedchem, 8, 2013
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4I0E
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![BU of 4i0e by Molmil](/molmil-images/mine/4i0e) | |
4I6B
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![BU of 4i6b by Molmil](/molmil-images/mine/4i6b) | |
4I6F
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![BU of 4i6f by Molmil](/molmil-images/mine/4i6f) | |
4I11
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![BU of 4i11 by Molmil](/molmil-images/mine/4i11) | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. | Descriptor: | Beta-secretase 1, N-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-phenylalanine, ZINC ION | Authors: | Bowers, B, Xu, Y, Yuan, S, Probst, G.D, Hom, R.K, Chan, W, Konradi, A.W, Sham, H.L, Zhu, Y.L, Beroza, P, Pan, H, Brecht, E, Yao, N, Lougheed, J, Artis, D.R, Tam, D, Bova, M. | Deposit date: | 2012-11-19 | Release date: | 2013-03-06 | Last modified: | 2013-04-24 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. Bioorg.Med.Chem.Lett., 23, 2013
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4I0F
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![BU of 4i0f by Molmil](/molmil-images/mine/4i0f) | |
4I0Z
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![BU of 4i0z by Molmil](/molmil-images/mine/4i0z) | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates | Descriptor: | 2-{(1S)-1-[(6-CHLORO-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)AMINO]-2-PHENYLETHYL}-4-OXO-1,4-DIHYDROPYRIMIDINE-5-CARBONITRILE, 2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-4-oxo-1,4-dihydropyrimidine-5-carbonitrile, ZINC ION | Authors: | Lougheed, J.C, Brecht, E, Yao, N.H. | Deposit date: | 2012-11-19 | Release date: | 2013-03-06 | Last modified: | 2013-04-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. Bioorg.Med.Chem.Lett., 23, 2013
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4LNC
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![BU of 4lnc by Molmil](/molmil-images/mine/4lnc) | Neutron structure of the cyclic glucose bound Xylose Isomerase E186Q mutant | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, Xylose isomerase, ... | Authors: | Munshi, P, Meilleur, F, Myles, D. | Deposit date: | 2013-07-11 | Release date: | 2014-02-12 | Last modified: | 2024-02-28 | Method: | NEUTRON DIFFRACTION (2.19 Å) | Cite: | Neutron structure of the cyclic glucose-bound xylose isomerase E186Q mutant. Acta Crystallogr.,Sect.D, 70, 2014
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