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6GO8
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BU of 6go8 by Molmil
Structure of GFPmut2 crystallized at pH 6
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Green fluorescent protein
Authors:Lolli, G, Raboni, S, Pasqualetto, E, Campanini, B, Mozzarelli, A, Bettati, S, Battistutta, R.
Deposit date:2018-06-01
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.648 Å)
Cite:Insight into GFPmut2 pH Dependence by Single Crystal Microspectrophotometry and X-ray Crystallography.
J.Phys.Chem.B, 122, 2018
6GRM
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BU of 6grm by Molmil
Structure of GFPmut2 crystallized at pH 6 and transferred to pH 9
Descriptor: Green fluorescent protein
Authors:Lolli, G, Raboni, S, Pasqualetto, E, Campanini, B, Mozzarelli, A, Bettati, S, Battistutta, R.
Deposit date:2018-06-11
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insight into GFPmut2 pH Dependence by Single Crystal Microspectrophotometry and X-ray Crystallography.
J.Phys.Chem.B, 122, 2018
5M3L
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BU of 5m3l by Molmil
Single-particle cryo-EM using alignment by classification (ABC): the structure of Lumbricus terrestris hemoglobin
Descriptor: Extracellular globin-2, Extracellular globin-3, Extracellular globin-4, ...
Authors:Afanasyev, P, Linnemayr-Seer, C, Ravelli, R.B.G, Matadeen, R, De Carlo, S, Alewijnse, B, Portugal, R.V, Pannu, N.S, Schatz, M, van Heel, M.
Deposit date:2016-10-15
Release date:2017-09-13
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Single-particle cryo-EM using alignment by classification (ABC): the structure of Lumbricus terrestris haemoglobin.
IUCrJ, 4, 2017
4OKT
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BU of 4okt by Molmil
Crystal structure of W741L-AR-LBD bound with co-regulator peptide
Descriptor: Androgen receptor, R-BICALUTAMIDE, co-regulator peptide
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-22
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
4OLM
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BU of 4olm by Molmil
Crystal structure of W741L-AR-LBD bound with co-regulator peptide
Descriptor: Androgen receptor, R-BICALUTAMIDE, co-regulator peptide
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-24
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
2YKF
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BU of 2ykf by Molmil
Sensor region of a sensor histidine kinase
Descriptor: BROMIDE ION, PROBABLE SENSOR HISTIDINE KINASE PDTAS, SULFATE ION
Authors:Preu, J, Panjikar, S, Morth, P, Jaiswal, R, Karunakar, P, Tucker, P.A.
Deposit date:2011-05-26
Release date:2012-06-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Sensor Region of the Ubiquitous Cytosolic Sensor Kinase, Pdtas, Contains Pas and Gaf Domain Sensing Modules.
J.Struct.Biol., 177, 2012
4OJB
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BU of 4ojb by Molmil
Crystal structure of W741L-AR-LBD
Descriptor: Androgen receptor, R-BICALUTAMIDE
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-21
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
5EQP
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BU of 5eqp by Molmil
Crystal structure of choline kinase alpha-1 bound by 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline (compound 37)
Descriptor: 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline, Choline kinase alpha
Authors:Zhou, T, Zhu, X, Dalgarno, D.C.
Deposit date:2015-11-13
Release date:2016-01-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery.
J.Med.Chem., 59, 2016
5LKU
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BU of 5lku by Molmil
Crystal structure of the p300 acetyltransferase catalytic core with coenzyme A.
Descriptor: COENZYME A, Histone acetyltransferase p300,Histone acetyltransferase p300, ZINC ION
Authors:Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D.
Deposit date:2016-07-25
Release date:2016-11-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of p300 in complex with acyl-CoA variants.
Nat. Chem. Biol., 13, 2017
5LUD
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BU of 5lud by Molmil
Structure of Cyclophilin A in complex with 2,3-Diaminopyridine
Descriptor: Peptidyl-prolyl cis-trans isomerase, pyridine-2,3-diamine
Authors:McNae, I.W, Nowicki, M.W, Blackburn, E.A, Wear, M.A, Walkinshaw, M.D.
Deposit date:2016-09-08
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Thermo-kinetic analysis space expansion for cyclophilin-ligand interactions - identification of a new nonpeptide inhibitor using BiacoreTM T200.
FEBS Open Bio, 7, 2017
4OKX
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BU of 4okx by Molmil
Crystal structure of W741L-AR-LBD bound with co-regulator peptide
Descriptor: Androgen receptor, R-BICALUTAMIDE, SULFATE ION, ...
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-23
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014
2XSH
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BU of 2xsh by Molmil
CRYSTAL STRUCTURE OF P4 VARIANT OF BIPHENYL DIOXYGENASE FROM BURKHOLDERIA XENOVORANS LB400 IN COMPLEX WITH 2,6 DI CHLOROBIPHENYL
Descriptor: 2,6-DICHLOROBIPHENYL, BIPHENYL DIOXYGENASE SUBUNIT ALPHA, BIPHENYL DIOXYGENASE SUBUNIT BETA, ...
Authors:Kumar, P, Bolin, J.T.
Deposit date:2010-09-29
Release date:2010-11-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural Insight Into the Expanded Pcb-Degrading Abilities of a Biphenyl Dioxygenase Obtained by Directed Evolution.
J.Mol.Biol., 405, 2011
5LI2
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BU of 5li2 by Molmil
bacteriophage phi812K1-420 tail sheath and tail tube protein in native tail
Descriptor: Phage-like element PBSX protein XkdM, tail sheath protein
Authors:Novacek, J, Siborova, M, Benesik, M, Pantucek, R, Doskar, J, Plevka, P.
Deposit date:2016-07-14
Release date:2017-07-19
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Structure and genome release of Twort-like Myoviridae phage with a double-layered baseplate.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
6G7K
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BU of 6g7k by Molmil
Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 10 ps state structure
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ...
Authors:Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J.
Deposit date:2018-04-06
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser.
Science, 361, 2018
2V91
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BU of 2v91 by Molmil
STRUCTURE OF STRICTOSIDINE SYNTHASE IN COMPLEX WITH STRICTOSIDINE
Descriptor: METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE, STRICTOSIDINE SYNTHASE
Authors:Loris, E.A, Panjikar, S, Ruppert, M, Barleben, L, Unger, M, Stoeckigt, J.
Deposit date:2007-08-16
Release date:2008-09-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structure Based Engineering of Strictosidine Synthase: Auxiliary for Alkaloid Libraries
Chem.Biol., 14, 2007
2P18
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BU of 2p18 by Molmil
Crystal structure of the Leishmania infantum glyoxalase II
Descriptor: ACETIC ACID, Glyoxalase II, SPERMIDINE, ...
Authors:Trincao, J, Barata, L, Najmudin, S, Bonifacio, C, Romao, M.J.
Deposit date:2007-03-02
Release date:2008-01-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Catalysis and Structural Properties of Leishmania infantum Glyoxalase II: Trypanothione Specificity and Phylogeny.
Biochemistry, 47, 2008
6H2H
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BU of 6h2h by Molmil
Structure of BlaC from Mycobacterium tuberculosis covalently bound to avibactam.
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, POLYETHYLENE GLYCOL (N=34)
Authors:Tassoni, R, Pannu, N.S, Ubbink, M.
Deposit date:2018-07-13
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019
2VIG
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BU of 2vig by Molmil
Crystal structure of human short-chain acyl CoA dehydrogenase
Descriptor: 1,2-ETHANEDIOL, COENZYME A PERSULFIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Pike, A.C.W, Pantic, N, Parizotto, E, Gileadi, O, Ugochukwu, E, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A, Oppermann, U.
Deposit date:2007-11-30
Release date:2007-12-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Human Short-Chain Acyl Coa Dehydrogenase
To be Published
2PZX
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BU of 2pzx by Molmil
Structure of the methuselah ectodomain with peptide inhibitor
Descriptor: G-protein coupled receptor Mth
Authors:West Jr, A.P, Ja, W.W, Delker, S.L, Bjorkman, P.J, Benzer, S, Roberts, R.W.
Deposit date:2007-05-18
Release date:2007-08-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Extension of Drosophila melanogaster life span with a GPCR peptide inhibitor.
Nat.Chem.Biol., 3, 2007
2XSO
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BU of 2xso by Molmil
CRYSTAL STRUCTURE OF P4 VARIANT OF BIPHENYL DIOXYGENASE FROM BURKHOLDERIA XENOVORANS LB400
Descriptor: BIPHENYL DIOXYGENASE SUBUNIT ALPHA, BIPHENYL DIOXYGENASE SUBUNIT BETA, FE (II) ION, ...
Authors:Kumar, P, Bolin, J.T.
Deposit date:2010-09-29
Release date:2010-11-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insight Into the Expanded Pcb-Degrading Abilities of a Biphenyl Dioxygenase Obtained by Directed Evolution.
J.Mol.Biol., 405, 2011
2XR8
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BU of 2xr8 by Molmil
Crystal structure of biphenyl dioxygenase from Burkholderia xenovorans LB400
Descriptor: BIPHENYL DIOXYGENASE SUBUNIT ALPHA, BIPHENYL DIOXYGENASE SUBUNIT BETA, FE (II) ION, ...
Authors:Kumar, P, Bolin, J.T.
Deposit date:2010-09-12
Release date:2010-11-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural Insight Into the Expanded Pcb-Degrading Abilities of a Biphenyl Dioxygenase Obtained by Directed Evolution.
J.Mol.Biol., 405, 2011
6H27
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BU of 6h27 by Molmil
Structure of S70C BlaC from Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, BlaC
Authors:Tassoni, R, Pannu, N.S, Ubbink, M.
Deposit date:2018-07-13
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019
2XRX
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BU of 2xrx by Molmil
CRYSTAL STRUCTURE OF BIPHENYL DIOXYGENASE IN COMPLEX WITH BIPHENYL FROM BURKHOLDERIA XENOVORANS LB400
Descriptor: BIPHENYL, BIPHENYL DIOXYGENASE SUBUNIT ALPHA, BIPHENYL DIOXYGENASE SUBUNIT BETA, ...
Authors:Kumar, P, Bolin, J.T.
Deposit date:2010-09-23
Release date:2010-11-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural Insight Into the Expanded Pcb-Degrading Abilities of a Biphenyl Dioxygenase Obtained by Directed Evolution.
J.Mol.Biol., 405, 2011
2YFI
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BU of 2yfi by Molmil
Crystal Structure of Biphenyl dioxygenase variant RR41 (BPDO-RR41)
Descriptor: BIPHENYL DIOXYGENASE SUBUNIT ALPHA, BIPHENYL DIOXYGENASE SUBUNIT BETA, FE (II) ION, ...
Authors:Kumar, P, Bolin, J.T.
Deposit date:2011-04-06
Release date:2011-06-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Retuning Rieske-Type Oxygenases to Expand Substrate Range.
J.Biol.Chem., 286, 2011
4OIW
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BU of 4oiw by Molmil
Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa
Descriptor: Probable M18 family aminopeptidase 2, ZINC ION
Authors:Nguyen, D.D, Pandian, R, Kim, D.D, Ha, S.C, Yoon, H.J, Kim, K.S, Yun, K.H, Kim, J.H, Kim, K.K.
Deposit date:2014-01-20
Release date:2014-04-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa
Biochem.Biophys.Res.Commun., 447, 2014

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