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3O03
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BU of 3o03 by Molmil
Quaternary complex structure of gluconate 5-dehydrogenase from streptococcus suis type 2
Descriptor: CALCIUM ION, D-gluconic acid, Dehydrogenase with different specificities, ...
Authors:Peng, H, Gao, F, Zhang, Q, Liu, Y, Gao, G.F.
Deposit date:2010-07-18
Release date:2010-12-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insight Into the Catalytic Mechanism of Gluconate 5-Dehydrogenase from Streptococcus Suis: Crystal Structures of the Substrate-Free and Quaternary Complex Enzymes.
Protein Sci., 18, 2009
2OZX
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BU of 2ozx by Molmil
Solution structure of human phosphohistidine phosphatase 1 in phosphate free form
Descriptor: 14 kDa phosphohistidine phosphatase
Authors:Gong, W, Cui, G, Jin, C, Xia, B.
Deposit date:2007-02-27
Release date:2008-03-25
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure and catalytic mechanism of human protein histidine phosphatase 1.
Biochem.J., 418, 2009
6KAB
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BU of 6kab by Molmil
Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 2
Descriptor: (3~{S})-3-(cyclohexylmethyl)-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, LYSINE, Lysine--tRNA ligase
Authors:Zhou, J, Fang, P.
Deposit date:2019-06-21
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.892 Å)
Cite:Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
3TKH
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BU of 3tkh by Molmil
Crystal structure of Chk1 in complex with inhibitor S01
Descriptor: 1-(morpholin-4-yl)-2-[4-(2-{[5-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}pyridin-4-yl)piperazin-1-yl]ethanone, SULFATE ION, Serine/threonine-protein kinase Chk1
Authors:Yan, Y, Ikuta, M.
Deposit date:2011-08-26
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Pyridyl aminothiazoles as potent inhibitors of Chk1 with slow dissociation rates.
Bioorg.Med.Chem.Lett., 22, 2012
3NSD
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BU of 3nsd by Molmil
Silver bound to the multicopper oxidase CueO (untagged)
Descriptor: Blue copper oxidase cueO, COPPER (II) ION, OXYGEN ATOM, ...
Authors:Montfort, W.R, Roberts, S.A, Singh, S.K.
Deposit date:2010-07-01
Release date:2011-08-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of multicopper oxidase CueO bound to copper(I) and silver(I): functional role of a methionine-rich sequence.
J. Biol. Chem., 286, 2011
6HQG
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BU of 6hqg by Molmil
Cytochrome P450-153 from Phenylobacterium zucineum
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fiorentini, F, Mattevi, A.
Deposit date:2018-09-25
Release date:2018-12-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Extreme Structural Plasticity in the CYP153 Subfamily of P450s Directs Development of Designer Hydroxylases.
Biochemistry, 57, 2018
3TXB
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BU of 3txb by Molmil
HEWL co-crystallization with cisplatin in aqueous media with glycerol as the cryoprotectant
Descriptor: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
Authors:Tanley, S.W.M, Schreurs, A.M.M, Helliwell, J.R, Kroon-Batenburg, L.M.J.
Deposit date:2011-09-23
Release date:2013-01-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Experience with exchange and archiving of raw data: comparison of data from two diffractometers and four software packages on a series of lysozyme crystals.
J.Appl.Crystallogr., 46, 2013
3TXJ
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BU of 3txj by Molmil
HEWL co-crystallization with NAG with silicone oil as the cryoprotectant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
Authors:Tanley, S.W.M, Schreurs, A.M.M, Helliwell, J.R, Kroon-Batenburg, L.M.J.
Deposit date:2011-09-23
Release date:2013-01-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Experience with exchange and archiving of raw data: comparison of data from two diffractometers and four software packages on a series of lysozyme crystals.
J.Appl.Crystallogr., 46, 2013
6KA6
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BU of 6ka6 by Molmil
Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 1
Descriptor: (3~{S})-3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, GLYCEROL, LYSINE, ...
Authors:Zhou, J, Fang, P.
Deposit date:2019-06-21
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.891 Å)
Cite:Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
3S7L
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BU of 3s7l by Molmil
Pyrazolyl and Thienyl Aminohydantoins as Potent BACE1 Inhibitors
Descriptor: (5S)-2-amino-5-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
Authors:Chopra, R, Olland, A, Svenson, K.
Deposit date:2011-05-26
Release date:2011-08-31
Method:X-RAY DIFFRACTION (2.162 Å)
Cite:New pyrazolyl and thienyl aminohydantoins as potent BACE1 inhibitors: Exploring the S2' region.
Bioorg.Med.Chem.Lett., 21, 2011
6KCN
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BU of 6kcn by Molmil
Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 4
Descriptor: 3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)isochromen-1-one, GLYCEROL, LYSINE, ...
Authors:Zhou, J, Fang, P.
Deposit date:2019-06-28
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
4I5H
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BU of 4i5h by Molmil
Crystal Structure of a Double Mutant Rat Erk2 Complexed With a Type II Quinazoline Inhibitor
Descriptor: Mitogen-activated protein kinase 1, N-{3-[2-(cyclopropylamino)quinazolin-6-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide
Authors:Hari, S.B, Maly, D.J, Merritt, E.A.
Deposit date:2012-11-28
Release date:2013-07-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sequence determinants of a specific inactive protein kinase conformation.
Chem.Biol., 20, 2013
3S3Y
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BU of 3s3y by Molmil
Crystal Structure an Tandem Cyanovirin-N Dimer, CVN2L0
Descriptor: SODIUM ION, TANDEM CYANOVIRIN-N DIMER CVN2L0
Authors:Keeffe, J.R, Bjorkman, P.J, Mayo, S.L.
Deposit date:2011-05-18
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Designed oligomers of cyanovirin-N show enhanced HIV neutralization.
Proc.Natl.Acad.Sci.USA, 108, 2011
3RZB
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BU of 3rzb by Molmil
CDK2 in complex with inhibitor RC-2-23
Descriptor: 4-amino-2-(phenylamino)-1,3-thiazole-5-carboxamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-05-11
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3S00
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BU of 3s00 by Molmil
CDK2 in complex with inhibitor L4-14
Descriptor: Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-05-12
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
3OMC
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BU of 3omc by Molmil
Structure of human SND1 extended tudor domain in complex with the symmetrically dimethylated arginine PIWIL1 peptide R4me2s
Descriptor: CHLORIDE ION, SYNTHETIC PEPTIDE, Staphylococcal nuclease domain-containing protein 1
Authors:Lam, R, Liu, K, Guo, Y.H, Bian, C.B, Xu, C, MacKenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2010-08-26
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural basis for recognition of arginine methylated Piwi proteins by the extended Tudor domain.
Proc.Natl.Acad.Sci.USA, 107, 2010
3ONI
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BU of 3oni by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor JQ1
Descriptor: (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, 1,2-ETHANEDIOL, Bromodomain containing 2, ...
Authors:Filippakopoulos, P, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Structural Genomics Consortium (SGC)
Deposit date:2010-08-29
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Selective inhibition of BET bromodomains.
Nature, 468, 2010
6KCT
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BU of 6kct by Molmil
Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 5
Descriptor: 3-(cyclohexylmethyl)-6,8-bis(oxidanyl)isochromen-1-one, LYSINE, Lysine--tRNA ligase
Authors:Zhou, J, Fang, P.
Deposit date:2019-06-29
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
4OXD
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BU of 4oxd by Molmil
Structure of the LdcB LD-carboxypeptidase reveals the molecular basis of peptidoglycan recognition
Descriptor: CHLORIDE ION, LYSINE, LdcB LD-carboxypeptidase, ...
Authors:Hoyland, C.N, Aldridge, C, Cleverley, R.M, Sidiq, K, Duchene, M.C, Daniel, R.A, Vollmer, W, Lewis, R.J.
Deposit date:2014-02-05
Release date:2014-05-21
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the LdcB LD-carboxypeptidase reveals the molecular basis of peptidoglycan recognition.
Structure, 22, 2014
6KBF
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BU of 6kbf by Molmil
Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 3
Descriptor: (3~{S})-3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydro-2~{H}-isoquinolin-1-one, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Zhou, J, Fang, P.
Deposit date:2019-06-24
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
3TES
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BU of 3tes by Molmil
Crystal Structure of Tencon
Descriptor: Tencon
Authors:Luo, J, Jacobs, S, Teplyakov, A, Obmolova, G, O'Neil, K, Gilliland, G.
Deposit date:2011-08-15
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design of novel FN3 domains with high stability by a consensus sequence approach.
Protein Eng.Des.Sel., 25, 2012
4IJ7
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BU of 4ij7 by Molmil
Crystal structure of Odorant Binding Protein 48 from Anopheles gambiae (AgamOBP48) with PEG
Descriptor: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, Odorant binding protein-8, SODIUM ION
Authors:Zographos, S.E, Tsitsanou, K.E, Drakou, C.E.
Deposit date:2012-12-21
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal and Solution Studies of the "Plus-C" Odorant-binding Protein 48 from Anopheles gambiae: CONTROL OF BINDING SPECIFICITY THROUGH THREE-DIMENSIONAL DOMAIN SWAPPING.
J.Biol.Chem., 288, 2013
6HQD
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BU of 6hqd by Molmil
Cytochrome P450-153 from Pseudomonas sp. 19-rlim
Descriptor: Cytochrome P450, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Fiorentini, F, Mattevi, A.
Deposit date:2018-09-24
Release date:2018-12-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Extreme Structural Plasticity in the CYP153 Subfamily of P450s Directs Development of Designer Hydroxylases.
Biochemistry, 57, 2018
6HQW
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BU of 6hqw by Molmil
Cytochrome P450-153 from Novosphingobium aromaticivorans
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fiorentini, F, Mattevi, A.
Deposit date:2018-09-25
Release date:2018-12-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Extreme Structural Plasticity in the CYP153 Subfamily of P450s Directs Development of Designer Hydroxylases.
Biochemistry, 57, 2018
2VNX
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BU of 2vnx by Molmil
Crystal structure of soybean ascorbate peroxidase mutant W41A after exposure to a high dose of x-rays
Descriptor: ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION
Authors:Metcalfe, C.L, Badyal, S.K, Raven, E.L, Moody, P.C.E.
Deposit date:2008-02-08
Release date:2008-04-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Iron Oxidation State Modulates Active Site Structure in a Heme Peroxidase.
Biochemistry, 47, 2008

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