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3KRB
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BU of 3krb by Molmil
Structure of Aldose Reductase from Giardia Lamblia at 1.75A Resolution
Descriptor: 1,2-ETHANEDIOL, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-11-18
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of aldose reductase from Giardia lamblia.
Acta Crystallogr.,Sect.F, 67, 2011
8JGG
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BU of 8jgg by Molmil
CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist BAM8-22
Descriptor: BAM8-22, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Sun, J.P, Xu, H.E, Ynag, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y.
Deposit date:2023-05-20
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
8JGB
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BU of 8jgb by Molmil
CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist CNF-Tx2
Descriptor: Conorfamide-Tx2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y.
Deposit date:2023-05-20
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
2L5P
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BU of 2l5p by Molmil
Solution NMR structure of protein lipocalin 12 from rat epididymis
Descriptor: Lipocalin 12
Authors:Peng, Y, Lin, D.
Deposit date:2010-11-03
Release date:2011-04-13
Last modified:2011-09-14
Method:SOLUTION NMR
Cite:Solution structure of the protein lipocalin 12 from rat epididymis
Proteins, 79, 2011
4P6G
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BU of 4p6g by Molmil
Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor.
Descriptor: (3R,4S)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl methylcarbamate, Cathepsin S
Authors:Wang, Y, Jadhav, P.K.
Deposit date:2014-03-24
Release date:2014-10-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of Cathepsin S Inhibitor LY3000328 for the Treatment of Abdominal Aortic Aneurysm.
Acs Med.Chem.Lett., 5, 2014
3LLS
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BU of 3lls by Molmil
Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase from Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, 3-ketoacyl-(Acyl-carrier-protein) reductase, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-01-29
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3LGZ
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BU of 3lgz by Molmil
Crystal structure of dehydrosqualene synthase Y129A from S. aureus complexed with presqualene pyrophosphate
Descriptor: Dehydrosqualene synthase, MAGNESIUM ION, {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate
Authors:Lin, F.-Y, Liu, Y.-L, Liu, C.-I, Wang, A.H.J, Oldfield, E.
Deposit date:2010-01-21
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
4J5I
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BU of 4j5i by Molmil
Crystal structure of an alpha-ketoglutarate-dependent taurine dioxygenase from Mycobacterium smegmatis
Descriptor: 1,2-ETHANEDIOL, Alpha-ketoglutarate-dependent taurine dioxygenase, FE (III) ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-02-08
Release date:2013-02-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3LJ1
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BU of 3lj1 by Molmil
IRE1 complexed with Cdk1/2 Inhibitor III
Descriptor: 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Lee, K.P.K, Sicheri, F.
Deposit date:2010-01-25
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Flavonol activation defines an unanticipated ligand-binding site in the kinase-RNase domain of IRE1.
Mol.Cell, 38, 2010
8DD5
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BU of 8dd5 by Molmil
Crystal structure of KAT6A in complex with inhibitor CTx-648 (PF-9363)
Descriptor: 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide, Histone acetyltransferase KAT6A, ZINC ION
Authors:Greasley, S.E, Johnson, E, Brodsky, O.
Deposit date:2022-06-17
Release date:2023-07-05
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Targeting KAT6A/KAT6B dependencies in breast cancer with a novel selective, orally bioavailable KAT6 inhibitor, CTx-648/PF-9363
To Be Published
3LEE
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BU of 3lee by Molmil
Crystal structure of the human squalene synthase complexed with BPH-652
Descriptor: (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid, MAGNESIUM ION, Squalene synthetase
Authors:Liu, Y.-L, Lin, F.-Y, Oldfield, E.
Deposit date:2010-01-14
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Mechanism of Action (and Inhibition) of Head-to-Head Terpene Synthases: A Structural Investigation
To be Published
3LAF
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BU of 3laf by Molmil
Structure of DCC, a netrin-1 receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Deleted in Colorectal Cancer, SULFATE ION, ...
Authors:Chen, Q, Liu, J.-H, Wang, J.-H.
Deposit date:2010-01-06
Release date:2011-03-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:N-terminal horseshoe conformation of DCC is functionally required for axon guidance and might be shared by other neural receptors.
J.Cell.Sci., 126, 2013
4KAM
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BU of 4kam by Molmil
X-ray crystal structure of O-acetylhomoserine sulfhydrylase MetC from Mycobacterium marinum ATCC BAA-535 / M
Descriptor: O-acetylhomoserine sulfhydrylase MetC, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-04-22
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4K3E
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BU of 4k3e by Molmil
Crystal structure of bovine antibody BLV5B8 with ultralong CDR H3
Descriptor: BOVINE ANTIBODY WITH ULTRALONG CDR H3, HEAVY CHAIN, LIGHT CHAIN, ...
Authors:Ekiert, D.C, Wang, F, Wilson, I.A.
Deposit date:2013-04-10
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Reshaping antibody diversity.
Cell(Cambridge,Mass.), 153, 2013
8BNV
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BU of 8bnv by Molmil
Crystal structure of Pif1 from Deferribacter desulfuricans in apo from
Descriptor: AAA family ATPase, GLYCEROL, MAGNESIUM ION
Authors:Rety, S, Chen, W.F, Xi, X.G.
Deposit date:2022-11-14
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structural Studies of Pif1 Helicases from Thermophilic Bacteria.
Microorganisms, 11, 2023
3LJ0
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BU of 3lj0 by Molmil
IRE1 complexed with ADP and Quercetin
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Lee, K.P.K, Sicheri, F.
Deposit date:2010-01-25
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Flavonol activation defines an unanticipated ligand-binding site in the kinase-RNase domain of IRE1.
Mol.Cell, 38, 2010
8BNX
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BU of 8bnx by Molmil
Crystal structure of Pif1 from Deferribacter desulfuricans in complex with AMPPNP
Descriptor: AAA family ATPase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Rety, S, Chen, W.F, Xi, X.G.
Deposit date:2022-11-14
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structural Studies of Pif1 Helicases from Thermophilic Bacteria.
Microorganisms, 11, 2023
8BAR
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BU of 8bar by Molmil
E. coli C7 DarT1 in complex with ADP-ribosylated ssDNA and nicotinamide
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, DNA (5'-D(*AP*AP*GP*AP*C)-3'), ...
Authors:Schuller, M, Ariza, A.
Deposit date:2022-10-11
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Molecular basis for the reversible ADP-ribosylation of guanosine bases.
Mol.Cell, 83, 2023
8BAS
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BU of 8bas by Molmil
E. coli C7 DarT1 in complex with carba-NAD and DNA
Descriptor: 1,2-ETHANEDIOL, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, DNA (5'-D(*AP*AP*GP*AP*C)-3'), ...
Authors:Schuller, M, Ariza, A.
Deposit date:2022-10-11
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Molecular basis for the reversible ADP-ribosylation of guanosine bases.
Mol.Cell, 83, 2023
8BAT
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BU of 8bat by Molmil
Geobacter lovleyi NADAR
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Geobacter lovleyi NADAR
Authors:Schuller, M, Ariza, A.
Deposit date:2022-10-11
Release date:2023-07-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis for the reversible ADP-ribosylation of guanosine bases.
Mol.Cell, 83, 2023
8BAQ
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BU of 8baq by Molmil
E. coli C7 DarT1 in complex with NAD+
Descriptor: 1,2-ETHANEDIOL, DarT ssDNA thymidine ADP-ribosyltransferase family protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Schuller, M, Ariza, A.
Deposit date:2022-10-11
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis for the reversible ADP-ribosylation of guanosine bases.
Mol.Cell, 83, 2023
8BAU
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BU of 8bau by Molmil
Phytophthora nicotianae var. parasitica NADAR in complex with ADP-ribose
Descriptor: 1,2-ETHANEDIOL, NADAR domain-containing protein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Schuller, M, Ariza, A.
Deposit date:2022-10-11
Release date:2023-07-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular basis for the reversible ADP-ribosylation of guanosine bases.
Mol.Cell, 83, 2023
4P6E
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BU of 4p6e by Molmil
Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor
Descriptor: Cathepsin S, N-[(8R)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide, SULFATE ION
Authors:Wang, Y, Jadhav, P.K, Deng, G.G.
Deposit date:2014-03-24
Release date:2014-10-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Cathepsin S Inhibitor LY3000328 for the Treatment of Abdominal Aortic Aneurysm.
Acs Med.Chem.Lett., 5, 2014
3K9U
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BU of 3k9u by Molmil
Crystal structure of paia acetyltransferase (ta0374) from thermoplasma acidophilum
Descriptor: ACETYL COENZYME *A, BROMIDE ION, CHLORIDE ION, ...
Authors:Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-10-16
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the novel PaiA N-acetyltransferase from Thermoplasma acidophilum involved in the negative control of sporulation and degradative enzyme production.
Proteins, 79, 2011
5XGR
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BU of 5xgr by Molmil
Structure of the S1 subunit C-terminal domain from bat-derived coronavirus HKU5 spike protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1
Authors:Xue, H, Qi, J, Song, H, Qihui, W, Shi, Y, Gao, G.F.
Deposit date:2017-04-16
Release date:2017-05-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the S1 subunit C-terminal domain from bat-derived coronavirus HKU5 spike protein
Virology, 507, 2017

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