6HN1
 
 | | Complex of Caprine Serum Albumin with diclofenac | | Descriptor: | 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, Albumin, CHLORIDE ION | | Authors: | Talaj, J.A, Bujacz, A, Bujacz, G. | | Deposit date: | 2018-09-13 | | Release date: | 2019-10-09 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural Investigation of Diclofenac Binding to Ovine, Caprine, and Leporine Serum Albumins.
Int J Mol Sci, 24, 2023
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4Z41
 | | X-ray structure of the adduct formed in the reaction between lysozyme and a platinum(II) Compound with a S,O Bidentate Ligand (9a=Chloro-(1-(3'-hydroxy)-3-(methylthio)-3-thioxo-prop-1-en-1-olate-O,S)-(dimethylsulfoxide-S)-platinum(II)) | | Descriptor: | 1,2-ETHANEDIOL, 3-[2-chloranyl-2-[dimethyl(oxidanyl)-{4}-sulfanyl]-4-ethylsulfanyl-1-oxa-3{3}-thia-2{4}-platinacyclohexa-3,5-dien-6-yl]phenol, DIMETHYL SULFOXIDE, ... | | Authors: | Merlino, A. | | Deposit date: | 2015-04-01 | | Release date: | 2015-09-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Platinum(II) Complexes with O,S Bidentate Ligands: Biophysical Characterization, Antiproliferative Activity, and Crystallographic Evidence of Protein Binding.
Inorg.Chem., 54, 2015
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8BHY
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8C8L
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2Y85
 | | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS PHOSPHORIBOSYL ISOMERASE WITH BOUND RCDRP | | Descriptor: | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-D-RIBULOSE-5-PHOSPHATE, CHLORIDE ION, PHOSPHORIBOSYL ISOMERASE A, ... | | Authors: | Kuper, J, Geerlof, A, Wilmanns, M. | | Deposit date: | 2011-02-03 | | Release date: | 2011-03-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Bisubstrate Specificity in Histidine/Tryptophan Biosynthesis Isomerase from Mycobacterium Tuberculosis by Active Site Metamorphosis.
Proc.Natl.Acad.Sci.USA, 108, 2011
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8C8K
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8C8N
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6D5C
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2P68
 | | Crystal Structure of aq_1716 from Aquifex Aeolicus VF5 | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] reductase | | Authors: | Chen, L, Chen, L.-Q, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, Zhao, M, Dillard, B, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-03-16 | | Release date: | 2007-04-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Crystal Structure of aq_1716 from Aquifex aeolicus VF5
To be Published
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7BW1
 | | Crystal structure of Steroid 5-alpha-reductase 2 in complex with Finasteride | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-oxo-5-alpha-steroid 4-dehydrogenase 2, SULFATE ION, ... | | Authors: | Xiao, Q, Zhang, C, Wei, Z. | | Deposit date: | 2020-04-13 | | Release date: | 2020-08-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of human steroid 5 alpha-reductase 2 with anti-androgen drug finasteride.
Res Sq, 2020
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7BTS
 | | Structure of human beta1 adrenergic receptor bound to epinephrine and nanobody 6B9 | | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHOLESTEROL, ... | | Authors: | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | | Deposit date: | 2020-04-02 | | Release date: | 2020-12-02 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.13 Å) | | Cite: | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR.
Cell Res., 31, 2021
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6R2J
 | | Crystal Structure of Pseudomonas stutzeri endoglucanase Cel5A in complex with cellobiose | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase(Endo-1,4-beta-glucanase)protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Dutoit, R, Delsaute, M, Berlemont, R, Van Elder, D, Galleni, M, Bauvois, C. | | Deposit date: | 2019-03-18 | | Release date: | 2020-01-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Crystal structure determination of Pseudomonas stutzeri A1501 endoglucanase Cel5A: the search for a molecular basis for glycosynthesis in GH5_5 enzymes.
Acta Crystallogr D Struct Biol, 75, 2019
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7BWP
 | | Crystal complex of endo-deglycosylated PcHNL5 with (R)-mandelonitrile | | Descriptor: | (2R)-hydroxy(phenyl)ethanenitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Zheng, Y.C, Li, F.L, Yu, H.L, Xu, J.H. | | Deposit date: | 2020-04-15 | | Release date: | 2020-05-13 | | Last modified: | 2025-03-05 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | Structure-Guided Tuning of a Hydroxynitrile Lyase to Accept Rigid Pharmaco Aldehydes.
Acs Catalysis, 10, 2020
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6R29
 | | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD cocrystallized with succinylphosphonate | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (4~{S})-4-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{H}-1,3-thiazol-2-yl]-4-oxidanyl-4-phosphono-butanoic acid, MAGNESIUM ION, ... | | Authors: | Wagner, T, Alzari, P.M, Bellinzoni, M. | | Deposit date: | 2019-03-15 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Conformational transitions in the active site of mycobacterial 2-oxoglutarate dehydrogenase upon binding phosphonate analogues of 2-oxoglutarate: From a Michaelis-like complex to ThDP adducts.
J.Struct.Biol., 208, 2019
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6D89
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6R2A
 | | Crystal structure of the SucA domain of Mycobacterium smegmatis KGD cocrystallized with succinylphosphonate phosphonoethyl ester (PESP) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (4~{S})-4-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{H}-1,3-thiazol-2-yl]-4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanyl-butanoic acid, MAGNESIUM ION, ... | | Authors: | Wagner, T, Alzari, P.M, Bellinzoni, M. | | Deposit date: | 2019-03-15 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Conformational transitions in the active site of mycobacterial 2-oxoglutarate dehydrogenase upon binding phosphonate analogues of 2-oxoglutarate: From a Michaelis-like complex to ThDP adducts.
J.Struct.Biol., 208, 2019
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6DAM
 | | Crystal structure of lanthanide-dependent methanol dehydrogenase XoxF from Methylomicrobium buryatense 5G | | Descriptor: | LANTHANUM (III) ION, Lanthanide-dependent methanol dehydrogenase XoxF, PYRROLOQUINOLINE QUINONE, ... | | Authors: | Deng, Y, Ro, S.Y, Rosenzweig, A.C. | | Deposit date: | 2018-05-01 | | Release date: | 2018-09-05 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure and function of the lanthanide-dependent methanol dehydrogenase XoxF from the methanotroph Methylomicrobium buryatense 5GB1C.
J. Biol. Inorg. Chem., 23, 2018
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2CJ8
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7C2C
 | | Esterase AlinE4 mutant, D162A | | Descriptor: | ACETATE ION, CADMIUM ION, GLYCEROL, ... | | Authors: | Li, Z, Li, J. | | Deposit date: | 2020-05-07 | | Release date: | 2020-05-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | C-terminal swapped dimers revealed a new catalytic mechanism of SGNH-hydrolase family esterases
To Be Published
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2P7O
 | | Crystal structure of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes (tetragonal form) | | Descriptor: | Glyoxalase family protein, MANGANESE (II) ION | | Authors: | Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N. | | Deposit date: | 2007-03-20 | | Release date: | 2007-07-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Structure and Mechanism of the Genomically Encoded Fosfomycin Resistance Protein, FosX, from Listeria monocytogenes.
Biochemistry, 46, 2007
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6DBD
 | | Crystal Structure of VHH R326 | | Descriptor: | ACETATE ION, SODIUM ION, nanobody VHH R326 | | Authors: | Brooks, C.L, Toride King, M, Huh, I. | | Deposit date: | 2018-05-03 | | Release date: | 2018-07-18 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.755 Å) | | Cite: | Structural basis of VHH-mediated neutralization of the food-borne pathogenListeria monocytogenes.
J. Biol. Chem., 293, 2018
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5B2W
 | | Crystal Structure of P450BM3 with N-perfluorododecanoyl-L-tryptophan | | Descriptor: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosakis(fluoranyl)dodecanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. | | Deposit date: | 2016-02-03 | | Release date: | 2017-02-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structure of P450BM3 with decoy molecules
to be published
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2P9E
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2PAJ
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6R5V
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