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4ENH
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BU of 4enh by Molmil
Crystal Structure of Human Cytochrome P450 CYP46A1 with Fluvoxamine Bound
Descriptor: Cholesterol 24-hydroxylase, Fluvoxamine, PROTOPORPHYRIN IX CONTAINING FE
Authors:Stout, C.D, Mast, N, Pikuleva, I.A.
Deposit date:2012-04-13
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:In Silico and Intuitive Predictions of CYP46A1 Inhibition by Marketed Drugs with Subsequent Enzyme Crystallization in Complex with Fluvoxamine.
Mol.Pharmacol., 82, 2012
3OQA
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BU of 3oqa by Molmil
Crystal Structures of Multidrug-Resistant Clinical Isolate 769 HIV-1 Protease Variants
Descriptor: HIV-1 Protease
Authors:Yedidi, R.S, Proteasa, G, Martinez-Cajas, J.L, Vickrey, J.F, Martin, P.D, Wawrzak, Z, Kovari, L.C.
Deposit date:2010-09-02
Release date:2011-04-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Contribution of the 80s loop of HIV-1 protease to the multidrug-resistance mechanism: crystallographic study of MDR769 HIV-1 protease variants.
Acta Crystallogr.,Sect.D, 67, 2011
3OSH
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BU of 3osh by Molmil
Crystal Structure of The Complex of Group 1 Phospholipase A2 With Atropin At 1.5 A Resolution
Descriptor: (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE, CALCIUM ION, Phospholipase A2 isoform 3
Authors:Shukla, P.K, Kaushik, S, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2010-09-09
Release date:2010-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of The Complex of Group 1 Phospholipase A2 With Atropin At 1.5 A Resolution
To be Published
3P5F
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BU of 3p5f by Molmil
Structure of the carbohydrate-recognition domain of human Langerin with man2 (Man alpha1-2 Man)
Descriptor: C-type lectin domain family 4 member K, CALCIUM ION, alpha-D-mannopyranose, ...
Authors:Feinberg, H, Taylor, M.E, Razi, N, McBride, R, Knirel, Y.A, Graham, S.A, Drickamer, K, Weis, W.I.
Deposit date:2010-10-08
Release date:2010-12-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.7501 Å)
Cite:Structural Basis for Langerin Recognition of Diverse Pathogen and Mammalian Glycans through a Single Binding Site.
J.Mol.Biol., 405, 2011
3OU1
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BU of 3ou1 by Molmil
MDR769 HIV-1 protease complexed with RH/IN hepta-peptide
Descriptor: MDR HIV-1 protease, RH/IN substrate peptide
Authors:Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C.
Deposit date:2010-09-14
Release date:2011-03-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30, 2011
3P6V
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BU of 3p6v by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog 3Et-AdaC1-Etg-Boc
Descriptor: Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-10-11
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog 3Et-AdaC1-Etg-Boc
To be Published
4ET9
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BU of 4et9 by Molmil
Hen egg-white lysozyme solved from 5 fs free-electron laser pulse data
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
7F68
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BU of 7f68 by Molmil
Crystal structure of N-ras S89D
Descriptor: GTPase NRas, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Li, Y, Sun, Q.
Deposit date:2021-06-24
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Crystal structure of N-ras S89D
To Be Published
6G5J
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BU of 6g5j by Molmil
Secreted phospholipase A2 type X in complex with ligand
Descriptor: (3~{R})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Sandmark, J, Oster, L.
Deposit date:2018-03-29
Release date:2018-09-05
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design of Selective sPLA2-X Inhibitor (-)-2-{2-[Carbamoyl-6-(trifluoromethoxy)-1H-indol-1-yl]pyridine-2-yl}propanoic Acid.
ACS Med Chem Lett, 9, 2018
4ETD
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BU of 4etd by Molmil
Lysozyme, room-temperature, rotating anode, 0.0026 MGy
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
6G5O
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BU of 6g5o by Molmil
The structure of a carbohydrate active P450
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Robb, C.S, Hehemann, J.H.
Deposit date:2018-03-29
Release date:2018-11-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Specificity and mechanism of carbohydrate demethylation by cytochrome P450 monooxygenases.
Biochem. J., 475, 2018
3OY5
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BU of 3oy5 by Molmil
The crystal structure of uPA complex with peptide inhibitor MH027 at pH7.4
Descriptor: MH027, SULFATE ION, Urokinase-type plasminogen activator
Authors:Jiang, L.G, Andreasen, P.A, Huang, M.D.
Deposit date:2010-09-22
Release date:2011-08-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:The binding mechanism of a peptidic cyclic serine protease inhibitor
J.Mol.Biol., 412, 2011
6G5T
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BU of 6g5t by Molmil
Myoglobin H64V/V68A in the resting state, 1.5 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Tinzl, M, Hayashi, T, Mori, T, Hilvert, D.
Deposit date:2018-03-30
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme
Nat Catal, 1, 2018
6G5V
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BU of 6g5v by Molmil
The X-ray structure of the adduct formed in the reaction between lysozyme and a platinum(II) terpyridine compound (pH 7.0)
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ...
Authors:Merlino, A, Ferraro, G.
Deposit date:2018-03-30
Release date:2018-07-04
Last modified:2018-07-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:A case of extensive protein platination: the reaction of lysozyme with a Pt(ii)-terpyridine complex.
Dalton Trans, 47, 2018
7F4Z
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BU of 7f4z by Molmil
X-ray crystal structure of Y149A mutated Hsp72-NBD in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Heat shock 70 kDa protein 1B, ...
Authors:Yokoyama, T, Fujii, S, Nabeshima, Y, Mizuguchi, M.
Deposit date:2021-06-21
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Neutron crystallographic analysis of the nucleotide-binding domain of Hsp72 in complex with ADP.
Iucrj, 9, 2022
7F4X
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BU of 7f4x by Molmil
Joint neutron and X-ray crystal structure of the nucleotide-binding domain of Hsp72 in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1B, MAGNESIUM ION, ...
Authors:Yokoyama, T, Ostermann, A, Schrader, T.E.
Deposit date:2021-06-21
Release date:2022-06-29
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION
Cite:Neutron crystallographic analysis of the nucleotide-binding domain of Hsp72 in complex with ADP.
Iucrj, 9, 2022
7F2X
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BU of 7f2x by Molmil
Crystal structure of MEK1 C121S mutant
Descriptor: MEK1 F11, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Fujioka, Y, Noda, N.N.
Deposit date:2021-06-15
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.007 Å)
Cite:Qualitative differences in disease-associated MEK mutants reveal molecular signatures and aberrant signaling-crosstalk in cancer.
Nat Commun, 13, 2022
7F50
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BU of 7f50 by Molmil
X-ray crystal structure of Y149A mutated Hsp72-NBD in complex with AMPPnP
Descriptor: CHLORIDE ION, Heat shock 70 kDa protein 1B, MAGNESIUM ION, ...
Authors:Yokoyama, T, Fujii, S, Nabeshima, Y, Mizuguchi, M.
Deposit date:2021-06-21
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:Neutron crystallographic analysis of the nucleotide-binding domain of Hsp72 in complex with ADP.
Iucrj, 9, 2022
3OK9
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BU of 3ok9 by Molmil
Crystal structure of wild-type HIV-1 protease with new oxatricyclic designed inhibitor GRL-0519A
Descriptor: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, GLYCEROL, ...
Authors:Wang, Y.-F, Agniswamy, J, Weber, I.T.
Deposit date:2010-08-24
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Probing Multidrug-Resistance and Protein-Ligand Interactions with Oxatricyclic Designed Ligands in HIV-1 Protease Inhibitors.
Chemmedchem, 5, 2010
4E7T
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BU of 4e7t by Molmil
The structure of T6 bovine insulin
Descriptor: Insulin A chain, Insulin B chain, ZINC ION
Authors:Harris, P, Frankaer, C.G, Knudsen, M.V.
Deposit date:2012-03-19
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The structures of T(6), T(3)R(3) and R(6) bovine insulin: combining X-ray diffraction and absorption spectroscopy.
Acta Crystallogr.,Sect.D, 68, 2012
7FAG
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BU of 7fag by Molmil
Room temperature structure of elastase with high-strength agarose hydrogel
Descriptor: CALCIUM ION, Chymotrypsin-like elastase family member 1, SULFATE ION, ...
Authors:Sugiyama, S, Kakinouchi, K, Adachi, H, Murata, M, Mori, Y.
Deposit date:2021-07-06
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Room temperature structure of elastase with high-strength agarose hydrogel
To Be Published
3P68
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BU of 3p68 by Molmil
Time-dependent and Protein-directed In Situ Growth of Gold Nanoparticles in a Single Crystal of Lysozyme
Descriptor: GOLD 3+ ION, Lysozyme C
Authors:Wei, H, Wang, Z, Zhang, J, House, S, Gao, Y.-G, Yang, L, Robinson, H, Tan, L.H, Xing, H, Hou, C, Robertson, I.M, Zuo, J.-M, Lu, Y.
Deposit date:2010-10-11
Release date:2011-02-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Time-dependent, protein-directed growth of gold nanoparticles within a single crystal of lysozyme.
Nat Nanotechnol, 6, 2011
3P6G
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BU of 3p6g by Molmil
Human adipocyte lipid-binding protein FABP4 in complex with (R)-ibuprofen
Descriptor: (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, Fatty acid-binding protein, adipocyte
Authors:Gonzalez, J.M, Pozharski, E.
Deposit date:2010-10-11
Release date:2011-04-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural analysis of ibuprofen binding to human adipocyte fatty-acid binding protein (FABP4).
Acta Crystallogr F Struct Biol Commun, 71, 2015
3P6S
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BU of 3p6s by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC2-C8-Dans
Descriptor: Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-10-11
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC2-C8-Dans
To be Published
4EF0
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BU of 4ef0 by Molmil
Crystal Structure of the first catalytic domain of protein disulfide isomerase P5
Descriptor: Protein disulfide-isomerase A6
Authors:Vinaik, R, Kozlov, G, Gehring, K.
Deposit date:2012-03-28
Release date:2013-04-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of the first catalytic domain of protein disulfide isomerase P5
To be Published

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