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4W1Q
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BU of 4w1q by Molmil
KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 7.39 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:2024-11-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography
Structure, 24, 2016
4W1S
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KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 11.09 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:2024-11-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography
Structure, 24, 2016
4UWO
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BU of 4uwo by Molmil
Native di-zinc VIM-26. Leu224 in VIM-26 from Klebsiella pneumoniae has implications for drug binding.
Descriptor: GLYCEROL, METALLO-BETA-LACTAMASE VIM-26, SODIUM ION, ...
Authors:Leiros, H.-K.S, Edvardsen, K.S.W, Bjerga, G.E.K, Samuelsen, O.
Deposit date:2014-08-14
Release date:2015-02-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.555 Å)
Cite:Structural and Biochemical Characterization of Vim-26 Show that Leu224 Has Implications for the Substrate Specificity of Vim Metallo-Beta-Lactamases.
FEBS J., 282, 2015
4UW5
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BU of 4uw5 by Molmil
Human galectin-7 in complex with a galactose based dendron D2-2.
Descriptor: DENDRON D2-1, HUMAN GALECTIN-7
Authors:Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R.
Deposit date:2014-08-08
Release date:2014-11-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
FEBS J., 282, 2015
3S7Q
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BU of 3s7q by Molmil
Crystal Structure of a Monomeric Infrared Fluorescent Deinococcus radiodurans Bacteriophytochrome chromophore binding domain
Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, 3-[2-[(Z)-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Bacteriophytochrome, ...
Authors:Auldridge, M.E, Satyshur, K.A, Forest, K.T.
Deposit date:2011-05-26
Release date:2012-01-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.748 Å)
Cite:Structure-guided engineering enhances a phytochrome-based infrared fluorescent protein.
J.Biol.Chem., 287, 2012
4UYB
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BU of 4uyb by Molmil
Crystal structure of SEC14-like protein 3
Descriptor: 1,2-ETHANEDIOL, SEC14-LIKE PROTEIN 3, UNKNOWN LIGAND
Authors:Kopec, J, Goubin, S, Krojer, T, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
Deposit date:2014-08-29
Release date:2014-09-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of Sec14-Like Protein 3
To be Published
4V2L
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BU of 4v2l by Molmil
Crystallographic structure of thioredoxin from Litopenaeus vannamei: Radiation damage effect at 3.4 MGy, focused in disulfide bonds.
Descriptor: ACETATE ION, GLYCEROL, SULFATE ION, ...
Authors:Campos-Acevedo, A.A, Rudino-Pinera, E.
Deposit date:2014-10-10
Release date:2015-01-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystallographic Studies Evidencing the High Energy Tolerance to Disrupting the Interface Disulfide Bond of Thioredoxin 1 from White Leg Shrimp Litopenaeus Vannamei.
Molecules, 19, 2014
4UXG
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BU of 4uxg by Molmil
Crystal structure of the carboxy-terminal region of the bacteriophage T4 proximal long tail fibre protein gp34, R32 native crystal
Descriptor: LARGE TAIL FIBER PROTEIN P34
Authors:Granell, M, Alvira, S, Garcia-Doval, C, Singh, A.K, van Raaij, M.J.
Deposit date:2014-08-22
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of the Carboxy-Terminal Region of the Bacteriophage T4 Proximal Long Tail Fiber Protein Gp34.
Viruses, 9, 2017
4UVO
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BU of 4uvo by Molmil
Crystal structure of human tankyrase 2 in complex with 5-amino-3-(4- methoxyphenyl)-1,2-dihydroisoquinolin-1-one
Descriptor: 5-amino-3-(4-methoxyphenyl)isoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ...
Authors:Narwal, M, Haikarainen, T, Lehtio, L.
Deposit date:2014-08-07
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
4UYA
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BU of 4uya by Molmil
Structure of MLK4 kinase domain with ATPgammaS
Descriptor: MAGNESIUM ION, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE MLK4, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Read, J.A, Brassington, C, Pollard, H.K, Phillips, C, Green, I, Overmann, R, Collier, M.
Deposit date:2014-08-29
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Recurrent Mlk4 Loss-of-Function Mutations Suppress Jnk Signaling to Promote Colon Tumorigenesis.
Cancer Res., 76, 2016
3SGO
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BU of 3sgo by Molmil
Amyloid-related segment of alphaB-crystallin residues 90-100
Descriptor: Alpha-crystallin B chain
Authors:Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
Deposit date:2011-06-15
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.557 Å)
Cite:Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012
4V0B
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BU of 4v0b by Molmil
Escherichia coli FtsH hexameric N-domain
Descriptor: ATP-DEPENDENT ZINC METALLOPROTEASE FTSH, SULFATE ION
Authors:Serek-Heuberger, J, Martin, J, Lupas, A.N, Hartmann, M.D.
Deposit date:2014-09-13
Release date:2015-01-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure and Evolution of N-Domains in Aaa Metalloproteases.
J.Mol.Biol., 427, 2015
3SGT
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BU of 3sgt by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1299
Descriptor: 2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid, Undecaprenyl pyrophosphate synthase
Authors:Cao, R, Liu, Y.-L, Oldfield, E.
Deposit date:2011-06-15
Release date:2012-12-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4V33
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BU of 4v33 by Molmil
Crystal structure of the putative polysaccharide deacetylase BA0330 from bacillus anthracis
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, POLYSACCHARIDE DEACETYLASE-LIKE PROTEIN, ...
Authors:Giastas, P, Andreou, A, Bouriotis, V, Eliopoulos, E.
Deposit date:2014-10-16
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Two Putative Polysaccharide Deacetylases are Required for Osmotic Stability and Cell Shape Maintenance in Bacillus Anthracis.
J.Biol.Chem., 290, 2015
4V06
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BU of 4v06 by Molmil
Crystal structure of human tryptophan hydroxylase 2 (TPH2), catalytic domain
Descriptor: FE (III) ION, IMIDAZOLE, TRYPTOPHAN 5-HYDROXYLASE 2
Authors:Kopec, J, Oberholzer, A, Fitzpatrick, F, Newman, J, Tallant, C, Kiyani, W, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
Deposit date:2014-09-11
Release date:2014-10-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Crystal Structure of Human Tryptophane Hydroxylase 2 (Tph2), Catalytic Domain
To be Published
4UUZ
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BU of 4uuz by Molmil
MCM2-histone complex
Descriptor: DNA REPLICATION LICENSING FACTOR MCM2, HISTONE H3, HISTONE H4
Authors:Richet, N, Liu, D, Legrand, P, Bakail, M, Compper, C, Besle, A, Guerois, R, Ochsenbein, F.
Deposit date:2014-08-01
Release date:2015-02-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Insight Into How the Human Helicase Subunit Mcm2 May Act as a Histone Chaperone Together with Asf1 at the Replication Fork.
Nucleic Acids Res., 43, 2015
4UWN
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BU of 4uwn by Molmil
Lysozyme soaked with a ruthenium based CORM with a methione oxide ligand (complex 6b)
Descriptor: CARBON MONOXIDE, CHLORIDE ION, GLYCEROL, ...
Authors:Santos, M.F.A, Mukhopadhyay, A, Romao, M.J, Romao, C.C, Santos-Silva, T.
Deposit date:2014-08-13
Release date:2014-12-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:A Contribution to the Rational Design of Ru(Co)3Cl2L Complexes for in Vivo Delivery of Co.
Dalton Trans, 44, 2015
4UWR
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BU of 4uwr by Molmil
Mono-zinc VIM-26. Leu224 in VIM-26 from Klebsiella pneumoniae has implications for drug binding.
Descriptor: FORMIC ACID, METALLO-BETA-LACTAMASE VIM-26, SODIUM ION, ...
Authors:Leiros, H.-K.S, Edvardsen, K.S.W, Bjerga, G.E.K, Samuelsen, O.
Deposit date:2014-08-14
Release date:2015-02-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural and Biochemical Characterization of Vim-26 Show that Leu224 Has Implications for the Substrate Specificity of Vim Metallo-Beta-Lactamases.
FEBS J., 282, 2015
4V1H
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BU of 4v1h by Molmil
Crystal structure of a mycobacterial ATP synthase rotor ring in complex with Iodo-Bedaquiline
Descriptor: F0F1 ATP SYNTHASE SUBUNIT C, IODO-BEDAQUILINE, TRIS(HYDROXYETHYL)AMINOMETHANE
Authors:Preiss, L, Yildiz, O, Meier, T.
Deposit date:2014-09-26
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the Mycobacterial ATP Synthase Fo Rotor Ring in Complex with Iodo-Bedaquiline
To be Published
4V2M
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BU of 4v2m by Molmil
Crystallographic structure of thioredoxin from Litopenaeus vannamei: Radiation damage effect at 34 MGy, focused in disulfide bonds.
Descriptor: ACETATE ION, GLYCEROL, SULFATE ION, ...
Authors:Campos-Acevedo, A.A, Rudino-Pinera, E.
Deposit date:2014-10-10
Release date:2015-01-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.841 Å)
Cite:Crystallographic Studies Evidencing the High Energy Tolerance to Disrupting the Interface Disulfide Bond of Thioredoxin 1 from White Leg Shrimp Litopenaeus Vannamei.
Molecules, 19, 2014
3SKV
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BU of 3skv by Molmil
Salicylyl-Acyltransferase SsfX3 from a Tetracycline Biosynthetic Pathway
Descriptor: GLYCEROL, SsfX3
Authors:Pickens, L.B, Sawaya, M.R, Yeates, T.O, Tang, Y.
Deposit date:2011-06-23
Release date:2011-10-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural and Biochemical Characterization of the Salicylyl-acyltranferase SsfX3 from a Tetracycline Biosynthetic Pathway.
J.Biol.Chem., 286, 2011
4UU4
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BU of 4uu4 by Molmil
Crystal structure of LptH, the LptA homologous periplasmic component of the conserved lipopolysaccharide transport device from Pseudomonas aeruginosa
Descriptor: PERIPLASMIC LIPOPOLYSACCHARIDE TRANSPORT PROTEIN LPTH
Authors:Bollati, M, Villa, R, Gourlay, L.J, Barbiroli, A, Deho, G, Benedet, M, Polissi, A, Martorana, A, Sperandeo, P, Bolognesi, M, Nardini, M.
Deposit date:2014-07-24
Release date:2015-03-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.751 Å)
Cite:Crystal Structure of Lpth, the Periplasmic Component of the Lipopolysaccharide Transport Machinery from Pseudomonas Aeruginosa.
FEBS J., 282, 2015
3SB5
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BU of 3sb5 by Molmil
Zn-mediated Trimer of T4 Lysozyme R125C/E128C by Synthetic Symmetrization
Descriptor: CHLORIDE ION, GLYCEROL, Lysozyme, ...
Authors:Laganowsky, A, Soriaga, A.B, Zhao, M, Sawaya, M.R, Cascio, D, Yeates, T.O.
Deposit date:2011-06-03
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
4URI
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BU of 4uri by Molmil
Crystal structure of chitinase-like agglutinin RobpsCRA from Robinia pseudoacacia
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHITINASE-RELATED AGGLUTININ, CHLORIDE ION, ...
Authors:Sulzenbacher, G, Roig-Zamboni, V, Peumans, W.J, Henrissat, B, van Damme, E.J.M, Bourne, Y.
Deposit date:2014-06-30
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Basis for Carbohydrate Binding Properties of a Plant Chitinase-Like Agglutinin with Conserved Catalytic Machinery.
J.Struct.Biol., 190, 2015
4US9
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BU of 4us9 by Molmil
Aldehyde Oxidoreductase from Desulfovibrio gigas (MOP), soaked with 3- phenylpropionaldehyde
Descriptor: (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), 3-PHENYLPROPANAL, ALDEHYDE OXIDOREDUCTASE, ...
Authors:Correia, H.D, Romao, M.J, Santos-Silva, T.
Deposit date:2014-07-03
Release date:2014-10-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Aromatic Aldehydes at the Active Site of Aldehyde Oxidoreductase from Desulfovibrio Gigas: Reactivity and Molecular Details of the Enzyme-Substrate and Enzyme-Product Interaction.
J.Biol.Inorg.Chem., 20, 2015

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