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4W1R
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BU of 4w1r by Molmil
KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 9.24 MGy TEMP 150K
Descriptor: DIETHYL HYDROGEN PHOSPHATE, E3
Authors:Jackson, C.J, Carr, P.D, Weik, M, Huber, T, Meirelles, T, Correy, G.
Deposit date:2014-08-14
Release date:2015-08-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography
Structure, 24, 2016
4W1T
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BU of 4w1t by Molmil
Structure of the Ssl1 laccase mutant H99Y with depleted type-2 copper ion
Descriptor: COPPER (II) ION, Copper oxidase, GLYCEROL
Authors:Gunne, M, Hoeppner, A, Jaeger, V.D, Urlacher, V.B.
Deposit date:2014-08-14
Release date:2015-08-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of the Ssl1 laccase mutant H99Y with depleted type-2 copper ion
To Be Published
4W4O
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BU of 4w4o by Molmil
High-resolution crystal structure of Fc bound to its human receptor Fc-gamma-RI
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ...
Authors:Caaveiro, J.M.M, Kiyoshi, M, Tsumoto, K.
Deposit date:2014-08-15
Release date:2015-04-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for binding of human IgG1 to its high-affinity human receptor Fc gamma RI
Nat Commun, 6, 2015
4W4U
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BU of 4w4u by Molmil
Structure of yeast SAGA DUBm with Sgf73 Y57A mutant at 2.8 angstroms resolution
Descriptor: SAGA-associated factor 11, SAGA-associated factor 73, Transcription and mRNA export factor SUS1, ...
Authors:Wolberger, C, Yan, M.
Deposit date:2014-08-15
Release date:2015-07-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Uncovering the role of Sgf73 in maintaining SAGA deubiquitinating module structure and activity.
J.Mol.Biol., 427, 2015
7YQ8
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BU of 7yq8 by Molmil
Cryo-EM structure of human topoisomerase II beta in complex with DNA and etoposide
Descriptor: (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, 50-mer DNA, DNA topoisomerase 2-beta, ...
Authors:Naganuma, M, Ehara, H, Kim, D, Nakagawa, R, Cong, A, Bu, H, Jeong, J, Jang, J, Schellenberg, M.J, Bunch, H, Sekine, S.
Deposit date:2022-08-05
Release date:2024-01-03
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:ERK2-topoisomerase II regulatory axis is important for gene activation in immediate early genes.
Nat Commun, 14, 2023
7Z65
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BU of 7z65 by Molmil
A GH18 from haloalkaliphilic bacterium unveils environment-dependent variations in the catalytic machinery of chitinases
Descriptor: 1,2-ETHANEDIOL, Chitinase, GH18 family
Authors:Madhuprakash, J, Dalhus, B, Rohr, A.K, Bissaro, B, Vaaje-Kolstad, G, Sorlie, M, Eijsink, V.G.
Deposit date:2022-03-11
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.108 Å)
Cite:A GH18 from haloalkaliphilic bacterium unveils environment-dependent variations in the catalytic machinery of chitinases
To Be Published
7Z64
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BU of 7z64 by Molmil
A GH18 from haloalkaliphilic bacterium unveils environment-dependent variations in the catalytic machinery of chitinases
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase, ...
Authors:Madhuprakash, J, Dalhus, B, Rohr, A.K, Bissaro, B, Vaaje-Kolstad, G, Sorlie, M, Eijsink, V.G.
Deposit date:2022-03-10
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:A GH18 from haloalkaliphilic bacterium unveils environment-dependent variations in the catalytic machinery of chitinases
To Be Published
7YPD
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BU of 7ypd by Molmil
Discovery and characterization of a new carbonyl reductase from Rhodotorula toluroides reducing fluoroketones, and X-ray analysis of the variant by rational engineering
Descriptor: Carbonyl reductase, MAGNESIUM ION
Authors:Watanabe, Y, Asano, Y, Hibi, M.
Deposit date:2022-08-03
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Discovery and characterization of a new carbonyl reductase from Rhodotorula toluroides reducing fluoroketones, and X-ray analysis of the variant by rational engineering
To Be Published
4URE
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BU of 4ure by Molmil
Molecular Genetic and Crystal Structural Analysis of 1-(4- Hydroxyphenyl)-Ethanol Dehydrogenase from Aromatoleum aromaticum EbN1
Descriptor: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ACETATE ION, CYCLOHEXANOL DEHYDROGENASE, ...
Authors:Buesing, I, Hoeffken, H.W, Breuer, M, Woehlbrand, L, Hauer, B, Rabus, R.
Deposit date:2014-06-28
Release date:2015-07-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular Genetic and Crystal Structural Analysis of 1-(4-Hydroxyphenyl)-Ethanol Dehydrogenase from 'Aromatoleum Aromaticum' Ebn1.
J.Mol.Microbiol.Biotechnol., 25, 2015
7ZN6
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BU of 7zn6 by Molmil
Crystal structure of laccase-like multicopper oxidase (LMCO) from Thermothelomyces thermophilus
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kosinas, C, Dimarogona, M, Zerva, A, Topakas, E.
Deposit date:2022-04-20
Release date:2023-06-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-function studies of a novel laccase-like multicopper oxidase from Thermothelomyces thermophila provide insights into its biological role.
Acta Crystallogr D Struct Biol, 79, 2023
4URL
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BU of 4url by Molmil
Crystal Structure of Staph ParE43kDa in complex with KBD
Descriptor: (1R,4aS,5S,6S,8aR)-5-{[(5S)-1-(3-O-acetyl-4-O-carbamoyl-6-deoxy-2-O-methyl-alpha-L-talopyranosyl)-4-hydroxy-2-oxo-5-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-6-methyl-4-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 2,6-dideoxy-3-C-[(1S)-1-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}ethyl]-beta-D-ribo-hexopyranoside, DNA TOPOISOMERASE IV, B SUBUNIT
Authors:Lu, J, Patel, S, Sharma, N, Soisson, S, Kishii, R, Takei, M, Fukuda, Y, Lumb, K.J, Singh, S.B.
Deposit date:2014-06-30
Release date:2014-07-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structures of Kibdelomycin Bound to Staphylococcus Aureus Gyrb and Pare Showed a Novel U-Shaped Binding Mode.
Acs Chem.Biol., 9, 2014
4UXA
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BU of 4uxa by Molmil
Improved variant of (R)-selective manganese-dependent hydroxynitrile lyase from bacteria
Descriptor: CUPIN 2 CONSERVED BARREL DOMAIN PROTEIN, MANGANESE (II) ION
Authors:Pavkov-Keller, T, Wiedner, R, Kothbauer, B, Gruber-Khadjawi, M, Schwab, H, Steiner, K, Gruber, K.
Deposit date:2014-08-21
Release date:2015-01-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Improving the Properties of Bacterial R-Selective Hydroxynitrile Lyases for Industrial Applications
Chemcatchem, 2015
4URT
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BU of 4urt by Molmil
The crystal structure of a fragment of netrin-1 in complex with FN5- FN6 of DCC
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Finci, L.I, Krueger, N, Sun, X, Zhang, J, Chegkazi, M, Wu, Y, Schenk, G, Mertens, H.D.T, Svergun, D.I, Zhang, Y, Wang, J.-h, Meijers, R.
Deposit date:2014-07-02
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The Crystal Structure of Netrin-1 in Complex with Dcc Reveals the Bi-Functionality of Netrin-1 as a Guidance Cue
Neuron, 83, 2014
4US4
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BU of 4us4 by Molmil
Crystal Structure of the Bacterial NSS Member MhsT in an Occluded Inward-Facing State (lipidic cubic phase form)
Descriptor: (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, SODIUM ION, ...
Authors:Malinauskaite, L, Quick, M, Reinhard, L, Lyons, J.A, Yano, H, Javitch, J.A, Nissen, P.
Deposit date:2014-07-02
Release date:2014-09-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Mechanism for Intracellular Release of Na+ by Neurotransmitter/Sodium Symporters
Nat.Struct.Mol.Biol., 21, 2014
4UU3
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BU of 4uu3 by Molmil
Ferulic acid decarboxylase from Enterobacter sp.
Descriptor: FERULIC ACID DECARBOXYLASE
Authors:Hromic, A, Pavkov-Keller, T, Steinkellner, G, Lyskowski, A, Wuensch, C, Gross, J, Fuchs, M, Fauland, K, Glueck, S.M, Faber, K, Gruber, K.
Deposit date:2014-07-24
Release date:2015-06-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Regioselective Enzymatic Beta-Carboxylation of Para-Hydroxy-Styrene Derivatives Catalyzed by Phenolic Acid Decarboxylases.
Adv. Synth. Catal., 357, 2015
4W8J
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BU of 4w8j by Molmil
Structure of the full-length insecticidal protein Cry1Ac reveals intriguing details of toxin packaging into in vivo formed crystals
Descriptor: CALCIUM ION, POTASSIUM ION, Pesticidal crystal protein cry1Ac
Authors:Evdokimov, A.G, Moshiri, F, Sturman, E.J, Rydel, T.J, Zheng, M, Seale, J.W, Franklin, S.
Deposit date:2014-08-25
Release date:2014-09-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structure of the full-length insecticidal protein Cry1Ac reveals intriguing details of toxin packaging into in vivo formed crystals.
Protein Sci., 23, 2014
4UXS
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BU of 4uxs by Molmil
Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, KINESIN-3 MOTOR DOMAIN, ...
Authors:Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C.
Deposit date:2014-08-27
Release date:2014-09-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins.
Elife, 3, 2014
4UZ9
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BU of 4uz9 by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM - CRYSTAL FORM VII - SOS COMPLEX - 2.2A
Descriptor: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Zebisch, M, Jones, E.Y.
Deposit date:2014-09-04
Release date:2015-02-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Notum Deacylates Wnt Proteins to Suppress Signalling Activity.
Nature, 519, 2015
4UZL
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BU of 4uzl by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM - CRYSTAL FORM I MYRISTOLEATE COMPLEX - 2.1A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Myristoleic acid, PROTEIN NOTUM HOMOLOG
Authors:Zebisch, M, Jones, E.Y.
Deposit date:2014-09-05
Release date:2015-02-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Notum Deacylates Wnt Proteins to Suppress Signalling Activity.
Nature, 519, 2015
4WB8
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BU of 4wb8 by Molmil
Crystal structure of human cAMP-dependent protein kinase A (catalytic alpha subunit), exon 1 deletion
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Cheung, J, Ginter, C, Cassidy, M, Franklin, M.C, Rudolph, M.J, Hendrickson, W.A.
Deposit date:2014-09-02
Release date:2015-01-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural insights into mis-regulation of protein kinase A in human tumors.
Proc.Natl.Acad.Sci.USA, 112, 2015
4WBK
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BU of 4wbk by Molmil
The 1.37 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with stearic acid
Descriptor: Fatty acid-binding protein, heart, STEARIC ACID
Authors:Sugiyama, S, Matsuoka, S, Mizohata, E, Matsuoka, D, Murakami, S, Inoue, T, Murata, M.
Deposit date:2014-09-03
Release date:2015-01-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Molecular Dynamics Simulations of Heart-type Fatty Acid Binding Protein in Apo and Holo Forms, and Hydration Structure Analyses in the Binding Cavity
J.Phys.Chem.B, 119, 2015
4WCY
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BU of 4wcy by Molmil
Fab fragment of mouse AZ130 monoclonal antibody
Descriptor: AZ130 Heavy chain, AZ130 Light chain, GLYCEROL, ...
Authors:Fallecker, C, Tarbouriech, N, Habib, M, Crepin, T, Drouet, E.
Deposit date:2014-09-05
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fab fragment of mouse AZ130 monoclonal antibody
To Be Published
4URU
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BU of 4uru by Molmil
The crystal structure of H-Ras and SOS in complex with ligands
Descriptor: 4-METHOXY-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1
Authors:Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4V0S
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BU of 4v0s by Molmil
Crystal structure of Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant inhibited by a 3-dehydroquinic acid derivative
Descriptor: (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3,4-DIHYDROXY-2-[(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL]BENZOIC ACID, 3-DEHYDROQUINATE DEHYDRATASE, ...
Authors:Otero, J.M, Llamas-Saiz, A.L, Santiago, C, Lamb, H, Hawkins, A.R, Maneiro, M, Peon, A, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2014-09-18
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase
To be Published
4UQO
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BU of 4uqo by Molmil
RADA C-TERMINAL ATPASE DOMAIN FROM PYROCOCCUS FURIOSUS BOUND TO ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA REPAIR AND RECOMBINATION PROTEIN RADA, MAGNESIUM ION, ...
Authors:Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M.
Deposit date:2014-06-24
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides
FEBS Open Bio, 6, 2016

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