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7FIW
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BU of 7fiw by Molmil
Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidAwMel(ST) and CidBND1-ND2 from wPip(Pel)
Descriptor: ULP_PROTEASE domain-containing protein, bacteria factor 4,CidA I(Zeta/1) protein
Authors:Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
Deposit date:2021-08-01
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
7FIU
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BU of 7fiu by Molmil
Crystal structure of the DUB domain of Wolbachia cytoplasmic incompatibility factor CidB from wMel
Descriptor: ULP_PROTEASE domain-containing protein
Authors:Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
Deposit date:2021-08-01
Release date:2022-04-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
7FIT
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BU of 7fit by Molmil
Crystal structure of Wolbachia cytoplasmic incompatibility factor CidA from wMel
Descriptor: bacteria factor 1
Authors:Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
Deposit date:2021-08-01
Release date:2022-04-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
3WJ7
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BU of 3wj7 by Molmil
Crystal structure of gox2253
Descriptor: MERCURY (II) ION, Putative oxidoreductase
Authors:Yuan, Y.A, Yin, B.
Deposit date:2013-10-05
Release date:2014-06-04
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into substrate and coenzyme preference by SDR family protein Gox2253 from Gluconobater oxydans.
Proteins, 82, 2014
6JCN
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BU of 6jcn by Molmil
Yeast dehydrodolichyl diphosphate synthase complex subunit NUS1
Descriptor: Dehydrodolichyl diphosphate synthase complex subunit NUS1, SULFATE ION
Authors:Ko, T.-P, Ma, J, Liu, W, Chen, C.-C, Guo, R.-T.
Deposit date:2019-01-29
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Structural insights to heterodimeric cis-prenyltransferases through yeast dehydrodolichyl diphosphate synthase subunit Nus1.
Biochem.Biophys.Res.Commun., 515, 2019
1CF5
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BU of 1cf5 by Molmil
BETA-MOMORCHARIN STRUCTURE AT 2.55 A
Descriptor: PROTEIN (BETA-MOMORCHARIN), beta-D-xylopyranose-(1-2)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Yuan, Y.-R, He, Y.-N, Xiong, J.-P, Xia, Z.-X.
Deposit date:1999-03-24
Release date:1999-06-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Three-dimensional structure of beta-momorcharin at 2.55 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
3UCS
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BU of 3ucs by Molmil
Crystal structure of the complex between CBPA J-domain and CBPM
Descriptor: Chaperone-modulator protein CbpM, Curved DNA-binding protein
Authors:Shi, R, Sarraf, N.S, Cygler, M, Ekiel, I, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2011-10-27
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure of the complex between CbpA J-domain and CbpM provides a link between chaperone and transcription regulation in bacterial heat shock response
to be published
1XQD
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BU of 1xqd by Molmil
Crystal structure of P450NOR complexed with 3-pyridinealdehyde adenine dinucleotide
Descriptor: CYTOCHROME P450 55A1, NICOTINIC ACID ADENINE DINUCLEOTIDE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Oshima, R, Fushinobu, S, Takaya, N, Su, F, Wakagi, T, Shoun, H.
Deposit date:2004-10-12
Release date:2004-10-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural evidence for direct hydride transfer from NADH to cytochrome P450nor
J.Mol.Biol., 342, 2004
3TFQ
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BU of 3tfq by Molmil
Crystal structure of 11b-hsd1 double mutant (l262r, f278e) complexed with 8-{[(2-CYANOPYRIDIN-3-YL)METHYL]SULFANYL}-6-HYDROXY-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDINE-5-CARBONITRILE
Descriptor: 8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, Corticosteroid 11-beta-dehydrogenase isozyme 1, GLYCEROL, ...
Authors:Sheriff, S.
Deposit date:2011-08-16
Release date:2011-11-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of 3-hydroxy-4-cyano-isoquinolines as novel, potent, and selective inhibitors of human 11beta-hydroxydehydrogenase 1 (11beta-HSD1)
Bioorg.Med.Chem.Lett., 21, 2011
3T8T
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BU of 3t8t by Molmil
Crystal structure of Staphylococcus aureus CymR oxidized form
Descriptor: Staphylococcus aureus CymR (oxidized form)
Authors:He, C, Ji, Q.
Deposit date:2011-08-01
Release date:2012-05-16
Last modified:2012-07-18
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Staphylococcus aureus CymR Is a New Thiol-based Oxidation-sensing Regulator of Stress Resistance and Oxidative Response.
J.Biol.Chem., 287, 2012
3S3G
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BU of 3s3g by Molmil
Crystal Structure of Human Aldose Reductase Complexed with Tolmetin
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Tolmetin
Authors:Zheng, X, Chen, J, Luo, H, Hu, X.
Deposit date:2011-05-18
Release date:2012-04-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase.
Febs Lett., 586, 2012
4M97
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BU of 4m97 by Molmil
Calcium-Dependent Protein Kinase 1 from Neospora caninum
Descriptor: Calmodulin-like domain protein kinase isoenzyme gamma, related
Authors:Merritt, E.A.
Deposit date:2013-08-14
Release date:2013-10-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
8E2M
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BU of 8e2m by Molmil
Bruton's tyrosine kinase (BTK) with compound 13
Descriptor: (5P)-5-[4-methyl-6-(2-methylpropyl)pyridin-3-yl]-4-oxo-N-[(1R,2S)-2-propanamidocyclopentyl]-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide, TRIETHYLENE GLYCOL, Tyrosine-protein kinase BTK
Authors:Alexander, R, Milligan, C.M.
Deposit date:2022-08-15
Release date:2022-11-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:Discovery of JNJ-64264681: A Potent and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 65, 2022
5DJ4
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BU of 5dj4 by Molmil
Leucine-bound Sestrin2 from Homo sapiens
Descriptor: LEUCINE, Sestrin-2
Authors:Saxton, R.A, Knockenhauer, K.E, Schwartz, T.U.
Deposit date:2015-09-01
Release date:2015-11-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.697 Å)
Cite:Structural basis for leucine sensing by the Sestrin2-mTORC1 pathway.
Science, 351, 2016
6K7Y
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BU of 6k7y by Molmil
Intact human mitochondrial calcium uniporter complex with MICU1/MICU2 subunits
Descriptor: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, CALCIUM ION, CARDIOLIPIN, ...
Authors:Zhuo, W, Zhou, H, Yang, M.
Deposit date:2019-06-10
Release date:2020-09-09
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of intact human MCU supercomplex with the auxiliary MICU subunits.
Protein Cell, 12, 2021
3TTF
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BU of 3ttf by Molmil
Crystal structure of E. coli HypF with AMP and carbamoyl phosphate
Descriptor: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, Transcriptional regulatory protein, ...
Authors:Petkun, S, Shi, R, Li, Y, Cygler, M.
Deposit date:2011-09-14
Release date:2011-12-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure of Hydrogenase Maturation Protein HypF with Reaction Intermediates Shows Two Active Sites.
Structure, 19, 2011
5DPN
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BU of 5dpn by Molmil
Engineered CBM X-2 L110F in complex with branched carbohydrate XXXG.
Descriptor: CALCIUM ION, Xylanase, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Ohlin, M.
Deposit date:2015-09-13
Release date:2015-10-28
Last modified:2024-05-01
Method:NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION
Cite:Neutron Crystallographic Studies Reveal Hydrogen Bond and Water-Mediated Interactions between a Carbohydrate-Binding Module and Its Bound Carbohydrate Ligand.
Biochemistry, 54, 2015
7KK5
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BU of 7kk5 by Molmil
Structure of the catalytic domain of PARP1 in complex with niraparib
Descriptor: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
Authors:Gajiwala, K.S, Ryan, K.
Deposit date:2020-10-27
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
7KKO
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BU of 7kko by Molmil
Structure of the catalytic domain of tankyrase 1 in complex with olaparib
Descriptor: 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, Poly [ADP-ribose] polymerase, ZINC ION
Authors:Gajiwala, K.S, Ryan, K.
Deposit date:2020-10-27
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
7KKP
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BU of 7kkp by Molmil
Structure of the catalytic domain of tankyrase 1 in complex with niraparib
Descriptor: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, Poly [ADP-ribose] polymerase, SULFATE ION, ...
Authors:Gajiwala, K.S, Ryan, K.
Deposit date:2020-10-27
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
4AQ3
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BU of 4aq3 by Molmil
HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR
Descriptor: APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, N,N-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide
Authors:Bertrand, J.A, Fasolini, M, Modugno, M.
Deposit date:2012-04-12
Release date:2012-06-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of a Phenylacylsulfonamide Series of Dual Bcl-2/Bcl-Xl Antagonists.
Bioorg.Med.Chem.Lett., 22, 2012
7KKM
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BU of 7kkm by Molmil
Structure of the catalytic domain of tankyrase 1
Descriptor: Poly [ADP-ribose] polymerase, ZINC ION
Authors:Gajiwala, K.S, Ryan, K.
Deposit date:2020-10-27
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
3TSQ
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BU of 3tsq by Molmil
Crystal structure of E. coli HypF with ATP and Carbamoyl phosphate
Descriptor: 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, MAGNESIUM ION, Transcriptional regulatory protein, ...
Authors:Petkun, S, Shi, R, Li, Y, Cygler, M.
Deposit date:2011-09-13
Release date:2011-12-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Hydrogenase Maturation Protein HypF with Reaction Intermediates Shows Two Active Sites.
Structure, 19, 2011
7XPZ
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BU of 7xpz by Molmil
Structure of Apo-hSLC19A1
Descriptor: Reduced folate transporter
Authors:Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P.
Deposit date:2022-05-06
Release date:2022-10-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022
7XQ0
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BU of 7xq0 by Molmil
Structure of hSLC19A1+3'3'-CDA
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Reduced folate transporter
Authors:Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P.
Deposit date:2022-05-06
Release date:2022-10-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Recognition of cyclic dinucleotides and folates by human SLC19A1.
Nature, 612, 2022

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