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PDB: 255 results

4FA6
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BU of 4fa6 by Molmil
Design and Synthesis of a Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative as a Potent Inhibitor of PI3Ka and mTOR
Descriptor: 2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Pannifer, A, Greasley, S.E.
Deposit date:2012-05-21
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design and synthesis of a novel pyrrolidinyl pyrido pyrimidinone derivative as a potent inhibitor of PI3Kalpha and mTOR
Bioorg.Med.Chem.Lett., 22, 2012
4GAA
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BU of 4gaa by Molmil
Structure of Leukotriene A4 hydrolase from Xenopus laevis complexed with inhibitor bestatin
Descriptor: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, MGC78867 protein, ZINC ION
Authors:Stsiapanava, A, Kumar, R.B, Haeggstrom, J.Z, Rinaldo-Matthis, A.
Deposit date:2012-07-25
Release date:2013-06-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Product formation controlled by substrate dynamics in leukotriene A4 hydrolase.
Biochim.Biophys.Acta, 1844, 2014
4FAY
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BU of 4fay by Molmil
Crystal structure of a trimeric bacterial microcompartment shell protein PduB with glycerol metabolites
Descriptor: ACETATE ION, GLYCEROL, Microcompartments protein
Authors:Pang, A.H, Prentice, M.B, Pickersgill, R.W.
Deposit date:2012-05-22
Release date:2012-11-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Substrate channels revealed in the trimeric Lactobacillus reuteri bacterial microcompartment shell protein PduB.
Acta Crystallogr.,Sect.D, 68, 2012
4HZG
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BU of 4hzg by Molmil
Structure of haloalkane dehalogenase DhaA from Rhodococcus rhodochrous
Descriptor: CHLORIDE ION, Haloalkane dehalogenase
Authors:Stsiapanava, A, Weiss, M.S, Mesters, J.R, Kuta Smatanova, I.
Deposit date:2012-11-15
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystallographic analysis of 1,2,3-trichloropropane biodegradation by the haloalkane dehalogenase DhaA31.
Acta Crystallogr.,Sect.D, 70, 2014
4I61
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BU of 4i61 by Molmil
Crystal structure of a trimeric bacterial microcompartment shell protein PduB
Descriptor: Propanediol utilization protein PduB
Authors:Pang, A.H, Pickersgill, R.W.
Deposit date:2012-11-29
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Propionaldehyde does not bind to PduB
To be Published
4DPR
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BU of 4dpr by Molmil
Structure of human Leukotriene A4 hydrolase in complex with inhibitor captopril
Descriptor: ACETIC ACID, GLYCEROL, L-CAPTOPRIL, ...
Authors:Stsiapanava, A, Haeggstrom, J.Z, Rinaldo-Matthis, A.
Deposit date:2012-02-14
Release date:2013-02-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Capturing LTA4hydrolase in action: Insights to the chemistry and dynamics of chemotactic LTB4synthesis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4E46
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BU of 4e46 by Molmil
Structure of Rhodococcus rhodochrous haloalkane dehalogenase DhaA in complex with 2-propanol
Descriptor: ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ...
Authors:Stsiapanava, A, Chaloupkova, R, Damborsky, J, Kuta Smatanova, I.
Deposit date:2012-03-12
Release date:2013-03-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Expansion of access tunnels and active-site cavities influence activity of haloalkane dehalogenases in organic cosolvents.
Chembiochem, 14, 2013
3OR7
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BU of 3or7 by Molmil
On the structural basis of modal gating behavior in K+channels - E71I
Descriptor: POTASSIUM ION, Voltage-gated potassium channel, antibody fab fragment heavy chain, ...
Authors:Chakrapani, S, Cordero-Morales, J.F, Jogini, V, Pan, A.C, Cortes, D.M, Roux, B, Perozo, E.
Deposit date:2010-09-06
Release date:2011-01-05
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:On the structural basis of modal gating behavior in K(+) channels.
Nat.Struct.Mol.Biol., 18, 2011
8RKF
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BU of 8rkf by Molmil
Crystal structure of the ZP-N1 and ZP-N2 domains of human ZP2 (hZP2-N1N2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2
Authors:Dioguardi, E, Stsiapanava, A, de Sanctis, D, Jovine, L.
Deposit date:2023-12-25
Release date:2024-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
4EIF
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BU of 4eif by Molmil
Crystal structure of cytochrome c6C L50Q mutant from Synechococcus sp. PCC 7002
Descriptor: CHLORIDE ION, Cytochrome c6, HEME C, ...
Authors:Krzywda, S, Bialek, W, Zatwarnicki, P, Jaskolski, M, Szczepaniak, A.
Deposit date:2012-04-05
Release date:2013-04-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Cytochrome c6 and c6C from Synechococcus sp. PCC 7002 - structure and function.
To be Published
4EIC
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BU of 4eic by Molmil
Crystal structure of reduced cytochrome c6 from Synechococcus sp. PCC 7002 at ultra-high resolution
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c6, HEME C
Authors:Krzywda, S, Bialek, W, Jaskolski, M, Szczepaniak, A.
Deposit date:2012-04-05
Release date:2013-04-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.84 Å)
Cite:Cytochrome c6 and c6C from Synechococcus sp. PCC 7002 - structure and function.
To be Published
3FWH
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BU of 3fwh by Molmil
Structure of haloalkane dehalogenase mutant Dha15 (I135F/C176Y) from Rhodococcus rhodochrous
Descriptor: ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ...
Authors:Gavira, J.A, Stsiapanava, A, Kuty, M, Dohnalek, J, Lapkouski, M, Kuta Smatanova, I.
Deposit date:2009-01-18
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Atomic resolution studies of haloalkane dehalogenases DhaA04, DhaA14 and DhaA15 with engineered access tunnels.
Acta Crystallogr.,Sect.D, 66, 2010
3T64
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BU of 3t64 by Molmil
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
Descriptor: 2',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine, 5'-(BENZHYDRYLAMINO)-2',5'-DIDEOXYURIDINE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
Authors:Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H.
Deposit date:2011-07-28
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
3T70
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BU of 3t70 by Molmil
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
Descriptor: 2',5'-dideoxy-5'-[(diphenylmethyl)(methyl)amino]uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ...
Authors:Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H.
Deposit date:2011-07-29
Release date:2012-08-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
3T60
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BU of 3t60 by Molmil
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
Descriptor: 2',5'-dideoxy-5'-(tritylamino)uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ...
Authors:Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H.
Deposit date:2011-07-28
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.396 Å)
Cite:Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
3FB7
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BU of 3fb7 by Molmil
Open KcsA potassium channel in the presence of Rb+ ion
Descriptor: RUBIDIUM ION, Voltage-gated potassium channel, antibody fab fragment heavy chain, ...
Authors:Cuello, L.G, Jogini, V, Cortes, D.M, Pan, A.C, Gagnon, D.H, Cordero-Morales, J.F, Chakrapani, S, Roux, B, Perozo, E.
Deposit date:2008-11-18
Release date:2010-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Open KcsA potassium channel in the presence of Rb+ ion
TO BE PUBLISHED
4DAJ
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BU of 4daj by Molmil
Structure of the M3 Muscarinic Acetylcholine Receptor
Descriptor: (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, Muscarinic acetylcholine receptor M3, Lysozyme, ...
Authors:Kruse, A.C, Hu, J, Pan, A.C, Arlow, D.H, Rosenbaum, D.M, Rosemond, E, Green, H.F, Liu, T, Chae, P.S, Dror, R.O, Shaw, D.E, Weis, W.I, Wess, J, Kobilka, B.
Deposit date:2012-01-12
Release date:2012-02-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure and dynamics of the M3 muscarinic acetylcholine receptor.
Nature, 482, 2012
7PFP
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BU of 7pfp by Molmil
Full-length cryo-EM structure of the native human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B.
Deposit date:2021-08-11
Release date:2022-03-16
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
7Q3N
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BU of 7q3n by Molmil
Cryo-EM of the complex between human uromodulin (UMOD)/Tamm-Horsfall protein (THP) and the FimH lectin domain from uropathogenic E. coli
Descriptor: 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Type 1 fimbiral adhesin FimH, ...
Authors:Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B.
Deposit date:2021-10-28
Release date:2022-03-16
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (7.4 Å)
Cite:Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
7OE1
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BU of 7oe1 by Molmil
30S ribosomal subunit from E. coli
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Maksimova, E, Korepanov, A, Baymukhametov, T, Kravchenko, O, Stolboushkina, E.
Deposit date:2021-04-30
Release date:2021-07-14
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:RbfA Is Involved in Two Important Stages of 30S Subunit Assembly: Formation of the Central Pseudoknot and Docking of Helix 44 to the Decoding Center.
Int J Mol Sci, 22, 2021
7OI0
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BU of 7oi0 by Molmil
E.coli delta rbfA pre-30S ribosomal subunit class D
Descriptor: 16S rRNA, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
Authors:Maksimova, E, Korepanov, A, Baymukhametov, T, Kravchenko, O, Stolboushkina, E.
Deposit date:2021-05-11
Release date:2021-07-14
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:RbfA Is Involved in Two Important Stages of 30S Subunit Assembly: Formation of the Central Pseudoknot and Docking of Helix 44 to the Decoding Center.
Int J Mol Sci, 22, 2021
7OE0
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BU of 7oe0 by Molmil
E. coli pre-30S delta rbfA ribosomal subunit class F
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Maksimova, E, Korepanov, A, Baymukhametov, T, Kravchenko, O, Stolboushkina, E.
Deposit date:2021-04-30
Release date:2021-07-14
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:RbfA Is Involved in Two Important Stages of 30S Subunit Assembly: Formation of the Central Pseudoknot and Docking of Helix 44 to the Decoding Center.
Int J Mol Sci, 22, 2021
8F4T
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BU of 8f4t by Molmil
Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with proguanil
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Punetha, A, Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2022-11-11
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
6Y1K
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BU of 6y1k by Molmil
Crystal structure of the unmodified A.17 antibody FAB fragment - L47R mutant
Descriptor: FAB A.17 L47R mutant Heavy Chain, FAB A.17 L47R mutant Light Chain
Authors:Chatziefthimiou, S, Stepanova, A, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M.
Deposit date:2020-02-12
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers.
Proc.Natl.Acad.Sci.USA, 117, 2020
2NBR
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BU of 2nbr by Molmil
The Solution Structure of Human gammaC-crystallin
Descriptor: Gamma-crystallin C
Authors:Dixit, K, Pande, A, Pande, J, Sarma, S.P.
Deposit date:2016-03-12
Release date:2016-06-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Nuclear Magnetic Resonance Structure of a Major Lens Protein, Human gamma C-Crystallin: Role of the Dipole Moment in Protein Solubility.
Biochemistry, 55, 2016

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