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4UY6
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BU of 4uy6 by Molmil
Crystal structure of Histidine and SAH bound Histidine-specific methyltransferase EgtD from Mycobacterium smegmatis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HISTIDINE, HISTIDINE-SPECIFIC METHYLTRANSFERASE EGTD, ...
Authors:Jeong, J.H, Kim, Y.G.
Deposit date:2014-08-29
Release date:2014-10-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural Insights Into the Histidine Trimethylation Activity of Egtd from Mycobacterium Smegmatis.
Biochem.Biophys.Res.Commun., 452, 2014
6NBB
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BU of 6nbb by Molmil
Horse liver alcohol dehydrogenase determined using single-particle cryo-EM at 200 keV
Descriptor: Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
Authors:Herzik Jr, M.A, Wu, M, Lander, G.C.
Deposit date:2018-12-06
Release date:2019-03-13
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:High-resolution structure determination of sub-100 kDa complexes using conventional cryo-EM.
Nat Commun, 10, 2019
7S4C
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BU of 7s4c by Molmil
Crystal Structure of Inhibitor-bound Galactokinase
Descriptor: 2-({(4R)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid, Galactokinase, PHOSPHATE ION, ...
Authors:Whitby, F.G.
Deposit date:2021-09-08
Release date:2021-09-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors.
J.Med.Chem., 64, 2021
4UU1
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BU of 4uu1 by Molmil
CRYSTAL STRUCTURE OF (SR) CALCIUM-ATPASE E2(TG) IN THE PRESENCE OF DOPC
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, GLYCEROL, MAGNESIUM ION, ...
Authors:Drachmann, N.D, Olesen, C, Moeller, J.V, Guo, Z, Nissen, P, Bublitz, M.
Deposit date:2014-07-24
Release date:2014-10-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Comparing Crystal Structures of Ca(2+) -ATPase in the Presence of Different Lipids.
FEBS J., 281, 2014
4UWP
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BU of 4uwp by Molmil
Penta Zn1 coordination. Leu224 in VIM-26 from Klebsiella pneumoniae has implications for drug binding.
Descriptor: METALLO-BETA-LACTAMASE VIM-26, ZINC 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 (1.7 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
6NI3
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BU of 6ni3 by Molmil
B2V2R-Gs protein subcomplex of a GPCR-G protein-beta-arrestin mega-complex
Descriptor: 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Endolysin,Beta-2 adrenergic receptor chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Nguyen, A.H, Thomsen, A.R.B, Cahill, T.J, des Georges, A, Lefkowitz, R.J.
Deposit date:2018-12-26
Release date:2019-11-20
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of an endosomal signaling GPCR-G protein-beta-arrestin megacomplex.
Nat.Struct.Mol.Biol., 26, 2019
4USU
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BU of 4usu by Molmil
Crystal structure of human soluble Adenylyl Cyclase in complex with alpha,beta-methyleneadenosine-5'-triphosphate
Descriptor: 1,2-ETHANEDIOL, ADENYLATE CYCLASE TYPE 10, CALCIUM ION, ...
Authors:Kleinboelting, S, Steegborn, C.
Deposit date:2014-07-13
Release date:2014-07-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Analysis of Human Soluble Adenylyl Cyclase and Crystal Structures of its Nucleotide Complexes -Implications for Cyclase Catalysis and Evolution.
FEBS J., 281, 2014
4UUX
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BU of 4uux by Molmil
Competence or damage-inducible protein CinA from Thermus thermophilus
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, CINA, MAGNESIUM ION, ...
Authors:Derrick, J, Karuppiah, V.
Deposit date:2014-07-31
Release date:2014-10-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure and Mechanism of the Bifunctional Cina Enzyme from Thermus Thermophilus
J.Biol.Chem., 289, 2014
6NIY
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BU of 6niy by Molmil
A high-resolution cryo-electron microscopy structure of a calcitonin receptor-heterotrimeric Gs protein complex
Descriptor: Calcitonin, Calcitonin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:dal Maso, E, Glukhova, A, Zhu, Y, Garcia-Nafria, J, Tate, C.G, Atanasio, S, Reynolds, C.A, Ramirez-Aportela, E, Carazo, J.-M, Hick, C.A, Furness, S.G.B, Hay, D.L, Liang, Y.-L, Miller, L.J, Christopoulos, A, Wang, M.-W, Wootten, D, Sexton, P.M.
Deposit date:2019-01-02
Release date:2019-01-23
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:The Molecular Control of Calcitonin Receptor Signaling.
Acs Pharmacol Transl Sci, 2, 2019
4UXZ
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BU of 4uxz by Molmil
Structure of delta7-DgkA-syn in 7.9 MAG to 2.18 angstrom resolution
Descriptor: (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, ACETATE ION, ...
Authors:Li, D, Howe, N, Caffrey, M.
Deposit date:2014-08-27
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Nat.Commun., 6, 2015
4UWS
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BU of 4uws by Molmil
VIM-26-PEG. Leu224 in VIM-26 from Klebsiella pneumoniae has implications for drug binding.
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, METALLO-BETA-LACTAMASE VIM-26, ...
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 (1.66 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
6SOZ
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BU of 6soz by Molmil
Glycosylated Trypanosoma brucei transferrin receptor in complex with human transferrin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ESAG6, ...
Authors:Trevor, C, Carrington, M, Higgins, M.K.
Deposit date:2019-08-30
Release date:2019-11-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.42 Å)
Cite:Structure of the trypanosome transferrin receptor reveals mechanisms of ligand recognition and immune evasion.
Nat Microbiol, 4, 2019
1E33
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BU of 1e33 by Molmil
Crystal structure of an Arylsulfatase A mutant P426L
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Arylsulfatase A, MAGNESIUM ION
Authors:von Buelow, R, Schmidt, B, Dierks, T, von Figura, K, Uson, I.
Deposit date:2000-06-06
Release date:2001-05-25
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Defective oligomerization of arylsulfatase a as a cause of its instability in lysosomes and metachromatic leukodystrophy.
J. Biol. Chem., 277, 2002
6MU1
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BU of 6mu1 by Molmil
Structure of full-length IP3R1 channel bound with Adenophostin A
Descriptor: Adenophostin A, Inositol 1,4,5-trisphosphate receptor type 1
Authors:Serysheva, I.I, Fan, G, Baker, M.R, Wang, Z, Seryshev, A, Ludtke, S.J, Baker, M.L.
Deposit date:2018-10-22
Release date:2018-12-05
Last modified:2024-12-25
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Cryo-EM reveals ligand induced allostery underlying InsP3R channel gating.
Cell Res., 28, 2018
4UVS
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BU of 4uvs by Molmil
Crystal structure of human tankyrase 2 in complex with 5-amino-3- pentyl-1,2-dihydroisoquinolin-1-one
Descriptor: 5-amino-3-pentylisoquinolin-1(2H)-one, SULFATE ION, TANKYRASE-2, ...
Authors:Narwal, M, Haikarainen, T, Lehtio, L.
Deposit date:2014-08-08
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 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
4V0I
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BU of 4v0i by Molmil
Water Network Determines Selectivity for a Series of Pyrimidone Indoline Amide PI3KBeta Inhibitors over PI3K-Delta
Descriptor: 2-[2-(2-METHYL-2,3-DIHYDRO-INDOL-1-YL)-2-OXO-ETHYL]-6-MORPHOLIN-4-YL-3H-PYRIMIDIN-4-ONE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM
Authors:Robinson, D, Bertrand, T, Carry, J.C, Halley, F, Karlsson, A, Mathieu, M, Minoux, H, Perrin, M.A, Robert, B, Schio, L, Sherman, W.
Deposit date:2014-09-16
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Differential Water Thermodynamics Determine Pi3K-Beta/Delta Selectivity for Solvent-Exposed Ligand Modifications.
J.Chem.Inf.Model., 56, 2016
6MVZ
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BU of 6mvz by Molmil
Mle-Phe-Mle-Phe. Linear precursor of pseudoxylallemycin A.
Descriptor: Linear precursor of pseudoxylallemycin A, trifluoroacetic acid
Authors:Cameron, A.J, Harris, P.W.R, Brimble, M.A, Squire, C.J.
Deposit date:2018-10-29
Release date:2019-09-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (0.83 Å)
Cite:Investigations of the key macrolactamisation step in the synthesis of cyclic tetrapeptide pseudoxylallemycin A.
Org.Biomol.Chem., 17, 2019
6MW3
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BU of 6mw3 by Molmil
EM structure of Bacillus subtilis ribonucleotide reductase inhibited filament composed of NrdE alpha subunit and NrdF beta subunit with dATP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Ribonucleoside-diphosphate reductase, Ribonucleoside-diphosphate reductase NrdF beta subunit
Authors:Thomas, W.C, Bacik, J.P, Kaelber, J.T, Ando, N.
Deposit date:2018-10-29
Release date:2019-06-19
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.65 Å)
Cite:Convergent allostery in ribonucleotide reductase.
Nat Commun, 10, 2019
6MXV
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BU of 6mxv by Molmil
The crystal structure of a rhodanese-like family protein from Francisella tularensis subsp. tularensis SCHU S4
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DODECAETHYLENE GLYCOL, ...
Authors:Tan, K, Skarina, T, Di Leo, R, Savchenko, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-10-31
Release date:2018-11-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The crystal structure of a rhodanese-like family protein from Francisella tularensis subsp. tularensis SCHU S4
To Be Published
1DWA
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BU of 1dwa by Molmil
STUDY ON RADIATION DAMAGE ON A CRYOCOOLED CRYSTAL. PART 1: STRUCTURE PRIOR TO IRRADIATION
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Burmeister, W.P.
Deposit date:1999-12-05
Release date:2000-03-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Changes in a Cryo-Cooled Protein Crystal due to Radiation Damage
Acta Crystallogr.,Sect.D, 56, 2000
6MYW
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BU of 6myw by Molmil
Gluconobacter Ene-Reductase (GluER) mutant - T36A
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Garfinkle, S.E, Jeffrey, P, Hyster, T.K.
Deposit date:2018-11-02
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.157 Å)
Cite:Photoexcitation of flavoenzymes enables a stereoselective radical cyclization.
Science, 364, 2019
6MQW
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BU of 6mqw by Molmil
Crystal Structure of All-trans Retinal-Bound R111K:Y134F:T54V:R132Q:P39Y:R59Y:L121E Human Cellular Retinoic Acid Binding Protein II Irradiated with 400 nm laser (30 seconds) and subsequently dark adapted (10 minutes) at 2.1 Angstrom Resolution
Descriptor: Cellular retinoic acid-binding protein 2, RETINAL
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2018-10-11
Release date:2019-01-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Mimicking Microbial Rhodopsin Isomerization in a Single Crystal.
J. Am. Chem. Soc., 141, 2019
6ZUM
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BU of 6zum by Molmil
Crystal structure of dimethylated RSL-N23H (RSL-B3) in complex with cucurbit[7]uril and zinc
Descriptor: ACETATE ION, Fucose-binding lectin protein, SODIUM ION, ...
Authors:Guagnini, F, Engilberge, S, Flood, R.J, Ramberg, K.O, Crowley, P.B.
Deposit date:2020-07-23
Release date:2020-11-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.589 Å)
Cite:Metal-Mediated Protein-Cucurbituril Crystalline Architectures
Cryst.Growth Des., 2020
6MR1
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BU of 6mr1 by Molmil
RbcS-like subdomain of CcmM
Descriptor: CHLORIDE ION, COBALT (II) ION, Carbon dioxide concentrating mechanism protein, ...
Authors:Ryan, P, Kimber, M.S.
Deposit date:2018-10-11
Release date:2019-01-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The small RbcS-like domains of the beta-carboxysome structural protein CcmM bind RubisCO at a site distinct from that binding the RbcS subunit.
J. Biol. Chem., 294, 2019
1DVA
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BU of 1dva by Molmil
Crystal Structure of the Complex Between the Peptide Exosite Inhibitor E-76 and Coagulation Factor VIIA
Descriptor: CACODYLATE ION, CALCIUM ION, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide, ...
Authors:Eigenbrot, C, Ultsch, M.H.
Deposit date:2000-01-20
Release date:2000-05-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Peptide exosite inhibitors of factor VIIa as anticoagulants.
Nature, 404, 2000

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