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3E1X
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BU of 3e1x by Molmil
The Crystal Structure of Apo Prostasin at 1.7 Angstroms Resolution
Descriptor: GLYCEROL, Prostasin
Authors:Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
Deposit date:2008-08-04
Release date:2009-05-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations.
Protein Sci., 18, 2009
4IDW
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BU of 4idw by Molmil
Polycrystalline T6 Bovine Insulin: Anisotropic Lattice Evolution and Novel Structure Refinement Strategy
Descriptor: Insulin A chain, Insulin B chain, ZINC ION
Authors:Margiolaki, I, Giannopoulou, A.E, Wright, J.P, Knight, L, Norrman, M, Schluckebier, G, Fitch, A, Von Dreele, R.B.
Deposit date:2012-12-13
Release date:2013-06-05
Method:POWDER DIFFRACTION
Cite:High-resolution powder X-ray data reveal the T6 hexameric form of bovine insulin
Acta Crystallogr.,Sect.D, 69, 2013
3ER5
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BU of 3er5 by Molmil
THE ACTIVE SITE OF ASPARTIC PROTEINASES
Descriptor: ENDOTHIAPEPSIN, H-189
Authors:Bailey, D, Veerapandian, B, Cooper, J, Szelke, M, Blundell, T.L.
Deposit date:1991-01-05
Release date:1991-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray-crystallographic studies of complexes of pepstatin A and a statine-containing human renin inhibitor with endothiapepsin.
Biochem.J., 289 ( Pt 2), 1993
4FRI
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BU of 4fri by Molmil
Crystal structure of BACE1 in complex with biarylspiro aminooxazoline 6
Descriptor: (4R)-4-[3-(2-fluoropyridin-3-yl)phenyl]-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
Authors:Whittington, D.A, Long, A.M.
Deposit date:2012-06-26
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure- and Property-Based Design of Aminooxazoline Xanthenes as Selective, Orally Efficacious, and CNS Penetrable BACE Inhibitors for the Treatment of Alzheimer's Disease.
J.Med.Chem., 55, 2012
4AXT
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BU of 4axt by Molmil
CRYSTAL STRUCTURE OF HEN EGG WHITE LYSOZYME FROM AN AUTO HARVESTED CRYSTAL, Control Experiment
Descriptor: LYSOZYME C
Authors:Cipriani, F, Rower, M, Landret, C, Zander, U, Felisaz, F, Marquez, J.A.
Deposit date:2012-06-14
Release date:2012-10-24
Last modified:2015-02-04
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal Direct: A New Method for Automated Crystal Harvesting Based on Laser-Induced Photoablation of Thin Films
Acta Crystallogr.,Sect.D, 68, 2012
4FIV
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BU of 4fiv by Molmil
FIV PROTEASE COMPLEXED WITH AN INHIBITOR LP-130
Descriptor: 4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE, FELINE IMMUNODEFICIENCY VIRUS PROTEASE
Authors:Kervinen, J, Lubkowski, J, Zdanov, A, Wlodawer, A, Gustchina, A.
Deposit date:1998-07-15
Release date:1999-01-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Toward a universal inhibitor of retroviral proteases: comparative analysis of the interactions of LP-130 complexed with proteases from HIV-1, FIV, and EIAV.
Protein Sci., 7, 1998
3E3T
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BU of 3e3t by Molmil
Structure of porcine pancreatic elastase with the magic triangle I3C
Descriptor: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Elastase-1, IODIDE ION, ...
Authors:Beck, T, Gruene, T, Sheldrick, G.M.
Deposit date:2008-08-08
Release date:2008-10-28
Last modified:2012-04-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A magic triangle for experimental phasing of macromolecules
Acta Crystallogr.,Sect.D, 64, 2008
4II8
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BU of 4ii8 by Molmil
Lysozyme with Benzyl alcohol
Descriptor: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
Authors:Sharma, P, Ashish
Deposit date:2012-12-20
Release date:2013-12-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Characterization of heat induced spherulites of lysozyme reveals new insight on amyloid initiation
Sci Rep, 6, 2016
4FLG
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BU of 4flg by Molmil
HIV-1 protease mutant I47V complexed with reaction intermediate
Descriptor: CHLORIDE ION, GLUTAMIC ACID, GLYCEROL, ...
Authors:Yu, X, Shen, C.H, Weber, I.T.
Deposit date:2012-06-14
Release date:2012-10-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease.
Biochemistry, 51, 2012
3EKF
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BU of 3ekf by Molmil
Crystal structure of the A264Q heme domain of cytochrome P450 BM3
Descriptor: Cytochrome P450(BM-3), PROTOPORPHYRIN IX CONTAINING FE
Authors:Toogood, H.S, Leys, D.
Deposit date:2008-09-19
Release date:2008-12-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel haem co-ordination variants of flavocytochrome P450BM3.
Biochem.J., 417, 2009
4FO0
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BU of 4fo0 by Molmil
Human actin-related protein Arp8 in its ATP-bound state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 8, CHLORIDE ION, ...
Authors:Gerhold, C.B, Lakomek, K, Seifert, F.U, Hopfner, K.-P.
Deposit date:2012-06-20
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of Actin-related protein 8 and its contribution to nucleosome binding.
Nucleic Acids Res., 40, 2012
3E5H
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BU of 3e5h by Molmil
Crystal Structure of Rab28 GTPase in the Active (GppNHp-bound) Form
Descriptor: GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Lee, S.H, Baek, K, Li, Y, Dominguez, R.
Deposit date:2008-08-13
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Large nucleotide-dependent conformational change in Rab28.
Febs Lett., 582, 2008
3E4E
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BU of 3e4e by Molmil
Human cytochrome P450 2E1 in complex with the inhibitor 4-methylpyrazole
Descriptor: 4-methyl-1H-pyrazole, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Meneely, K.M, Porubsky, P.R, Scott, E.E.
Deposit date:2008-08-11
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of human cytochrome P450 2E1: insights into the binding of inhibitors and both small molecular weight and fatty acid substrates.
J.Biol.Chem., 283, 2008
4F6G
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BU of 4f6g by Molmil
Aquomet Structure of His100Trp Cerebratulus lacteus mini-hemoglobin
Descriptor: GLYCEROL, Neural hemoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Soman, J, Salter, M.D, Olson, J.S.
Deposit date:2012-05-14
Release date:2012-05-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Aquomet Structure of His100Trp Cerebratulus lacteus mini-hemoglobin
To be Published
3E7Y
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BU of 3e7y by Molmil
Structure of human insulin
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Timofeev, V.I, Baidus, A.N, Kislitsyn, Y.A, Kuranova, I.P.
Deposit date:2008-08-19
Release date:2009-02-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of human insulin
to be published
4F75
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BU of 4f75 by Molmil
Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate RH-IN
Descriptor: ACETATE ION, C terminal product of substrate RH-IN, GLYCEROL, ...
Authors:Schiffer, C.A, Mittal, S, Nalam, M.N.L.
Deposit date:2012-05-15
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate RH-IN
To be Published
4B72
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BU of 4b72 by Molmil
Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain
Descriptor: (6R)-6-(4-methoxyphenyl)-2-methyl-6-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-d][1,3]thiazol-4-amine, BETA-SECRETASE 1
Authors:Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F.
Deposit date:2012-08-16
Release date:2013-06-26
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity.
J.Med.Chem., 56, 2013
4B7J
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BU of 4b7j by Molmil
H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:van der Vries, E, Vachieri, S.G, Xiong, X, Liu, J, Collins, P.J, Walker, P.A, Haire, L.F, Hay, A.J, Schutten, M, Osterhaus, A.D.M.E, Martin, S.R, Boucher, C.A.B, Skehel, J.J, Gamblin, S.J.
Deposit date:2012-08-20
Release date:2012-10-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.417 Å)
Cite:H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis
Plos Pathog., 8, 2012
3CL2
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BU of 3cl2 by Molmil
N1 Neuraminidase N294S + Oseltamivir
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase
Authors:Collins, P, Haire, L.F, Lin, Y.P, Liu, J, Russell, R.J, Walker, P.A, Skehel, J.J, Martin, S.R, Hay, A.J, Gamblin, S.J.
Deposit date:2008-03-18
Release date:2008-05-20
Last modified:2018-08-22
Method:X-RAY DIFFRACTION (2.538 Å)
Cite:Crystal structures of oseltamivir-resistant influenza virus neuraminidase mutants.
Nature, 453, 2008
4FE6
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BU of 4fe6 by Molmil
Crystal Structure of HIV-1 Protease in Complex with an enamino-oxindole inhibitor
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({(3Z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1H-indol-5-yl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, HIV protease
Authors:Silva, A.M, Eissenstat, M, Guerassina, T, Gulnik, S, Afonina, E, Yu, B, Erickson, J, Ludke, D, Yokoe, H.
Deposit date:2012-05-29
Release date:2012-07-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Enamino-oxindole HIV protease inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
3ZID
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BU of 3zid by Molmil
CetZ from Methanosaeta thermophila strain DSM 6194
Descriptor: GUANOSINE-5'-DIPHOSPHATE, TUBULIN/FTSZ, GTPASE
Authors:Aylett, C.H.S, Amos, L.A, Lowe, J.
Deposit date:2013-01-08
Release date:2013-08-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cetz Tubulin-Like Proteins Control Archaeal Cell Shape
Nature, 519, 2015
3ZOB
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BU of 3zob by Molmil
Solution structure of chicken Engrailed 2 homeodomain
Descriptor: HOMEOBOX PROTEIN ENGRAILED-2
Authors:Carlier, L, Balayssac, S, Cantrelle, F.X, Khemtemourian, L, Chassaing, G, Joliot, A, Lequin, O.
Deposit date:2013-02-21
Release date:2013-08-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Investigation of Homeodomain Membrane Translocation Properties: Insights from the Structure Determination of Engrailed-2 Homeodomain in Aqueous and Membrane-Mimetic Environments.
Biophys.J., 105, 2013
3CNB
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BU of 3cnb by Molmil
Crystal structure of signal receiver domain of DNA binding response regulator protein (merR) from Colwellia psychrerythraea 34H
Descriptor: DNA-binding response regulator, merR family
Authors:Patskovsky, Y, Romero, R, Freeman, J, Hu, S, Groshong, C, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-03-25
Release date:2008-04-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of signal receiver domain of DNA binding response regulator (merR) from Colwellia psychrerythraea 34H.
To be Published
4HGU
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BU of 4hgu by Molmil
Crystal Structure of Galleria mellonella Silk Protease Inhibitor 2
Descriptor: SODIUM ION, Silk protease inhibitor 2
Authors:Krzywda, S, Jaskolski, M, Dvornyk, A, Kludkiewicz, B, Grzelak, K, Zagorski, W, Bal, W, Kopera, E.
Deposit date:2012-10-08
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Atomic resolution structure of a protein prepared by non-enzymatic His-tag removal. Crystallographic and NMR study of GmSPI-2 inhibitor.
Plos One, 9, 2014
4FIA
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BU of 4fia by Molmil
Crystal Structure of Human CYP46A1 P450 with bicalutamide Bound
Descriptor: Cholesterol 24-hydroxylase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Stout, C.D, Pikuleva, I.A, Mast, N.
Deposit date:2012-06-08
Release date:2013-01-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Binding of a cyano- and fluoro-containing drug bicalutamide to cytochrome P450 46A1: unusual features and spectral response.
J.Biol.Chem., 288, 2013

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