3MPH
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![BU of 3mph by Molmil](/molmil-images/mine/3mph) | The structure of human diamine oxidase complexed with an inhibitor aminoguanidine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Amiloride-sensitive amine oxidase, CALCIUM ION, ... | Authors: | McGrath, A.P, Guss, J.M. | Deposit date: | 2010-04-27 | Release date: | 2010-09-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Correlation of active site metal content in human diamine oxidase with trihydroxyphenylalanine quinone cofactor biogenesis Biochemistry, 49, 2010
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3PGB
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![BU of 3pgb by Molmil](/molmil-images/mine/3pgb) | Crystal structure of Aspergillus nidulans amine oxidase | 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: | McGrath, A.P, Guss, J.M. | Deposit date: | 2010-11-01 | Release date: | 2011-07-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure and Activity of Aspergillus nidulans Copper Amine Oxidase Biochemistry, 50, 2011
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3HI7
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![BU of 3hi7 by Molmil](/molmil-images/mine/3hi7) | Crystal structure of human diamine oxidase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Amiloride-sensitive amine oxidase, CALCIUM ION, ... | Authors: | McGrath, A.P, Guss, J.M. | Deposit date: | 2009-05-19 | Release date: | 2009-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Structure and inhibition of human diamine oxidase Biochemistry, 48, 2009
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3HIG
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![BU of 3hig by Molmil](/molmil-images/mine/3hig) | |
3HII
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![BU of 3hii by Molmil](/molmil-images/mine/3hii) | |
4PW9
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![BU of 4pw9 by Molmil](/molmil-images/mine/4pw9) | |
4PW3
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![BU of 4pw3 by Molmil](/molmil-images/mine/4pw3) | |
3K5T
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![BU of 3k5t by Molmil](/molmil-images/mine/3k5t) | Crystal structure of human diamine oxidase in space group C2221 | 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: | McGrath, A.P, Guss, J.M. | Deposit date: | 2009-10-08 | Release date: | 2010-02-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | A new crystal form of human diamine oxidase. Acta Crystallogr.,Sect.F, 66, 2010
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7SQO
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![BU of 7sqo by Molmil](/molmil-images/mine/7sqo) | Structure of the orexin-2 receptor(OX2R) bound to TAK-925, Gi and scFv16 | 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(i) subunit alpha-1, ... | Authors: | McGrath, A.P, Kang, Y, Flinspach, M. | Deposit date: | 2021-11-05 | Release date: | 2022-05-25 | Last modified: | 2022-07-06 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Molecular mechanism of the wake-promoting agent TAK-925. Nat Commun, 13, 2022
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4Q9J
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![BU of 4q9j by Molmil](/molmil-images/mine/4q9j) | P-glycoprotein cocrystallised with QZ-Val | Descriptor: | Multidrug resistance protein 1A, N-{[5-AMINO-1-(5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1H-IMIDAZOL-4-YL]CARBONYL}-L-ASPARTIC ACID | Authors: | McGrath, A.P, Szewczyk, P, Chang, G. | Deposit date: | 2014-05-01 | Release date: | 2015-03-04 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein. Acta Crystallogr.,Sect.D, 71, 2015
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4Q9H
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![BU of 4q9h by Molmil](/molmil-images/mine/4q9h) | P-glycoprotein at 3.4 A resolution | Descriptor: | Multidrug resistance protein 1A | Authors: | McGrath, A.P, Szewczyk, P, Chang, G. | Deposit date: | 2014-05-01 | Release date: | 2015-03-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein. Acta Crystallogr.,Sect.D, 71, 2015
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4Q9K
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![BU of 4q9k by Molmil](/molmil-images/mine/4q9k) | P-glycoprotein cocrystallised with QZ-Leu | Descriptor: | (30F)L(30F)L(30F)L Peptide, Multidrug resistance protein 1A | Authors: | McGrath, A.P, Szewczyk, P, Chang, G. | Deposit date: | 2014-05-01 | Release date: | 2015-03-04 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein. Acta Crystallogr.,Sect.D, 71, 2015
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4PWA
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4Q9I
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![BU of 4q9i by Molmil](/molmil-images/mine/4q9i) | P-glycoprotein cocrystallised with QZ-Ala | Descriptor: | (30F)A(30F)A(30F)A Peptide, Multidrug resistance protein 1A | Authors: | McGrath, A.P, Szewczyk, P, Chang, G. | Deposit date: | 2014-05-01 | Release date: | 2015-03-04 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.781 Å) | Cite: | Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein. Acta Crystallogr.,Sect.D, 71, 2015
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4Q9L
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![BU of 4q9l by Molmil](/molmil-images/mine/4q9l) | P-glycoprotein cocrystallised with QZ-Phe | Descriptor: | (30F)F(30F)F(30F)F Peptide, Multidrug resistance protein 1A | Authors: | McGrath, A.P, Szewczyk, P, Chang, G. | Deposit date: | 2014-05-01 | Release date: | 2015-03-04 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein. Acta Crystallogr.,Sect.D, 71, 2015
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4XWK
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![BU of 4xwk by Molmil](/molmil-images/mine/4xwk) | P-glycoprotein co-crystallized with BDE-100 | Descriptor: | 2,4-dibromophenyl 2,4,6-tribromophenyl ether, Multidrug resistance protein 1A | Authors: | McGrath, A.P, Rees, S.D, Chang, G. | Deposit date: | 2015-01-28 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Global marine pollutants inhibit P-glycoprotein: Environmental levels, inhibitory effects, and cocrystal structure. Sci Adv, 2, 2016
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3ALA
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![BU of 3ala by Molmil](/molmil-images/mine/3ala) | Crystal structure of vascular adhesion protein-1 in space group C2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ernberg, K.E, McGrath, A.P, Guss, J.M. | Deposit date: | 2010-07-29 | Release date: | 2010-12-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A new crystal form of human vascular adhesion protein 1 Acta Crystallogr.,Sect.F, 66, 2010
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3W5I
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![BU of 3w5i by Molmil](/molmil-images/mine/3w5i) | |
3W5J
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![BU of 3w5j by Molmil](/molmil-images/mine/3w5j) | Crystal structure of GDP-bound NfeoB from Gallionella capsiferriformans | Descriptor: | Ferrous iron transport protein B, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Deshpande, C.N, McGrath, A.P, Jormakka, M. | Deposit date: | 2013-01-30 | Release date: | 2013-04-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.932 Å) | Cite: | Structure of an atypical FeoB G-domain reveals a putative domain-swapped dimer. Acta Crystallogr.,Sect.F, 69, 2013
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6OCE
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![BU of 6oce by Molmil](/molmil-images/mine/6oce) | Structure of the rice hyperosmolality-gated ion channel OSCA1.2 | Descriptor: | stress-gated cation channel 1.2 | Authors: | Maity, K, Heumann, J.M, McGrath, A.P, Chang, G, Stowell, M.H. | Deposit date: | 2019-03-23 | Release date: | 2019-07-03 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | Cryo-EM structure of OSCA1.2 fromOryza sativaelucidates the mechanical basis of potential membrane hyperosmolality gating. Proc.Natl.Acad.Sci.USA, 116, 2019
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3TU6
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![BU of 3tu6 by Molmil](/molmil-images/mine/3tu6) | The Structure of a Pseudoazurin From Sinorhizobium meliltoi | Descriptor: | COPPER (II) ION, GLYCEROL, Pseudoazurin (Blue copper protein) | Authors: | Laming, E.M, McGrath, A.P, Guss, J.M, Maher, M.J. | Deposit date: | 2011-09-16 | Release date: | 2012-05-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The X-ray crystal structure of a pseudoazurin from Sinorhizobium meliloti. J.Inorg.Biochem., 115, 2012
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3G9Y
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![BU of 3g9y by Molmil](/molmil-images/mine/3g9y) | Crystal structure of the second zinc finger from ZRANB2/ZNF265 bound to 6 nt ssRNA sequence AGGUAA | Descriptor: | RNA (5'-R(*AP*GP*GP*UP*AP*A)-3'), ZINC ION, Zinc finger Ran-binding domain-containing protein 2 | Authors: | Loughlin, F.E, McGrath, A.P, Lee, M, Guss, J.M, Mackay, J.P. | Deposit date: | 2009-02-15 | Release date: | 2009-03-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The zinc fingers of the SR-like protein ZRANB2 are single-stranded RNA-binding domains that recognize 5' splice site-like sequences Proc.Natl.Acad.Sci.USA, 106, 2009
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7JYT
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![BU of 7jyt by Molmil](/molmil-images/mine/7jyt) | hALK in complex with 3-(3-methyl-1H-pyrazol-5-yl)pyridine | Descriptor: | 3-(3-methyl-1H-pyrazol-5-yl)pyridine, ALK tyrosine kinase receptor, GLYCEROL | Authors: | McGrath, A.P, Zou, H, Lane, W, Saikatendu, K. | Deposit date: | 2020-08-31 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design. Acs Omega, 5, 2020
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7JYS
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![BU of 7jys by Molmil](/molmil-images/mine/7jys) | hALK in complex with 3-(3-chlorophenyl)-5-methyl-1H-pyrazole | Descriptor: | 1,2-ETHANEDIOL, 3-(3-chlorophenyl)-5-methyl-1H-pyrazole, ALK tyrosine kinase receptor | Authors: | McGrath, A.P, Zou, H, Lane, W, Saikatendu, K. | Deposit date: | 2020-08-31 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design. Acs Omega, 5, 2020
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7JYR
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![BU of 7jyr by Molmil](/molmil-images/mine/7jyr) | hALK in complex with 1-[(1R,2R)-1-(2,4-difluorophenyl)-2-[2-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)phenoxy]cyclopropyl]methanamine | Descriptor: | 1,2-ETHANEDIOL, 4-{[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]oxy}-3-(5-methyl-1H-pyrazol-3-yl)benzonitrile, ALK tyrosine kinase receptor | Authors: | McGrath, A.P, Zou, H, Lane, W, Saikatendu, K. | Deposit date: | 2020-08-31 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design. Acs Omega, 5, 2020
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