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1O7O
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BU of 1o7o by Molmil
Roles of Individual Residues of Alpha-1,3 Galactosyltransferases in Substrate Binding and Catalysis
Descriptor: MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE, ...
Authors:Zhang, Y, Swaminathan, G.J, Deshpande, A, Natesh, R, Xie, Z, Acharya, K.R, Brew, K.
Deposit date:2002-11-11
Release date:2003-11-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Roles of individual enzyme-substrate interactions by alpha-1,3-galactosyltransferase in catalysis and specificity.
Biochemistry, 42, 2003
1O7Q
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BU of 1o7q by Molmil
Roles of Individual Residues of Alpha-1,3 Galactosyltransferases in Substrate Binding and Catalysis
Descriptor: GLYCEROL, MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, ...
Authors:Zhang, Y, Swaminathan, G.J, Deshpande, A, Natesh, R, Xie, Z, Acharya, K.R, Brew, K.
Deposit date:2002-11-12
Release date:2003-11-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Roles of Individual Enzyme-Substrate Interactions by Alpha-1,3-Galactosyltransferase in Catalysis and Specificity.
Biochemistry, 42, 2003
1VZU
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BU of 1vzu by Molmil
Roles of active site tryptophans in substrate binding and catalysis by ALPHA-1,3 GALACTOSYLTRANSFERASE
Descriptor: GLYCEROL, MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, ...
Authors:Zhang, Y, Deshpande, A, Xie, Z, Natesh, R, Acharya, K.R, Brew, K.
Deposit date:2004-05-27
Release date:2004-07-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Roles of active site tryptophans in substrate binding and catalysis by alpha-1,3 galactosyltransferase.
Glycobiology, 14, 2004
1VZX
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BU of 1vzx by Molmil
Roles of active site tryptophans in substrate binding and catalysis by ALPHA-1,3 GALACTOSYLTRANSFERASE
Descriptor: GLYCEROL, MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, ...
Authors:Zhang, Y, Deshpande, A, Xie, Z, Natesh, R, Acharya, K.R, Brew, K.
Deposit date:2004-05-28
Release date:2004-07-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Roles of active site tryptophans in substrate binding and catalysis by alpha-1,3 galactosyltransferase.
Glycobiology, 14, 2004
8GSZ
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BU of 8gsz by Molmil
Structure of STING SAVI-related mutant V147L
Descriptor: Stimulator of interferon genes protein
Authors:Wang, Z, Yu, X.
Deposit date:2022-09-07
Release date:2022-12-28
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Structural insights into a shared mechanism of human STING activation by a potent agonist and an autoimmune disease-associated mutation.
Cell Discov, 8, 2022
8GT6
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BU of 8gt6 by Molmil
human STING With agonist HB3089
Descriptor: 1-[(2E)-4-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-[3-(morpholin-4-yl)propoxy]-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methyl-1H-furo[3,2-e]benzimidazole-5-carboxamide, Stimulator of interferon genes protein
Authors:Wang, Z, Yu, X.
Deposit date:2022-09-07
Release date:2022-12-28
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Structural insights into a shared mechanism of human STING activation by a potent agonist and an autoimmune disease-associated mutation.
Cell Discov, 8, 2022
4XFV
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BU of 4xfv by Molmil
Crystal Structure of Elp2
Descriptor: Elongator complex protein 2
Authors:Lin, Z, Dong, C, Long, J, Shen, Y.
Deposit date:2014-12-29
Release date:2015-05-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The elp2 subunit is essential for elongator complex assembly and functional regulation
Structure, 23, 2015
1VZT
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BU of 1vzt by Molmil
ROLES OF INDIVIDUAL RESIDUES OF ALPHA-1,3 GALACTOSYLTRANSFERASES IN SUBSTRATE BINDING AND CATALYSIS
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, ...
Authors:Zhang, Y, Swaminathan, G.J, Deshpande, A, Natesh, R, Xie, X, Acharya, K.R, Brew, K.
Deposit date:2004-05-26
Release date:2005-05-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Roles of Individual Enzyme-Substrate Interactions by Alpha-1,3-Galactosyltransferase in Catalysis and Specificity.
Biochemistry, 42, 2003
2H2A
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BU of 2h2a by Molmil
Crystal structure of Nicotinic acid mononucleotide adenylyltransferase from Staphylococcus aureus: product bound form 2
Descriptor: CALCIUM ION, GLYCEROL, NICOTINIC ACID ADENINE DINUCLEOTIDE, ...
Authors:Han, S.
Deposit date:2006-05-18
Release date:2006-08-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Nicotinic Acid Mononucleotide Adenylyltransferase from Staphyloccocus aureus: Structural Basis for NaAD Interaction in Functional Dimer.
J.Mol.Biol., 360, 2006
2H29
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BU of 2h29 by Molmil
Crystal structure of Nicotinic acid mononucleotide Adenylyltransferase from Staphylococcus aureus: product bound form 1
Descriptor: NICOTINIC ACID ADENINE DINUCLEOTIDE, Probable nicotinate-nucleotide adenylyltransferase
Authors:Han, S.
Deposit date:2006-05-18
Release date:2006-08-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Nicotinic Acid Mononucleotide Adenylyltransferase from Staphyloccocus aureus: Structural Basis for NaAD Interaction in Functional Dimer.
J.Mol.Biol., 360, 2006
6UW6
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BU of 6uw6 by Molmil
Cryo-EM structure of the human TRPV3 K169A mutant determined in lipid nanodisc
Descriptor: Transient receptor potential cation channel subfamily V member 3, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
Authors:Deng, Z, Yuan, P.
Deposit date:2019-11-04
Release date:2020-07-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:Gating of human TRPV3 in a lipid bilayer.
Nat.Struct.Mol.Biol., 27, 2020
6UW9
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BU of 6uw9 by Molmil
Cryo-EM structure of the human TRPV3 K169A mutant in the presence of 2-APB, determined in lipid nanodisc
Descriptor: Transient receptor potential cation channel subfamily V member 3
Authors:Deng, Z, Yuan, P.
Deposit date:2019-11-04
Release date:2020-07-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.33 Å)
Cite:Gating of human TRPV3 in a lipid bilayer.
Nat.Struct.Mol.Biol., 27, 2020
8W9A
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BU of 8w9a by Molmil
CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-7909 binding at an allosteric site
Descriptor: 6-chloranyl-3-[[(1R)-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Huang, X, Ren, X, Zhong, W.
Deposit date:2023-09-05
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop.
Structure, 2024
8W9B
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BU of 8w9b by Molmil
CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-8557 binding at an allosteric site
Descriptor: 1-[(1S)-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Huang, X, Ren, X, Zhong, W.
Deposit date:2023-09-05
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop.
Structure, 2024
6UW4
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BU of 6uw4 by Molmil
Cryo-EM structure of human TRPV3 determined in lipid nanodisc
Descriptor: SODIUM ION, Transient receptor potential cation channel subfamily V member 3, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
Authors:Deng, Z, Yuan, P.
Deposit date:2019-11-04
Release date:2020-07-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Gating of human TRPV3 in a lipid bilayer.
Nat.Struct.Mol.Biol., 27, 2020
6UW8
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BU of 6uw8 by Molmil
Cryo-EM structure of the human TRPV3 K169A mutant briefly exposed to 2-APB for 3 minutes, determined in lipid nanodisc
Descriptor: Transient receptor potential cation channel subfamily V member 3
Authors:Deng, Z, Yuan, P.
Deposit date:2019-11-04
Release date:2020-07-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.02 Å)
Cite:Gating of human TRPV3 in a lipid bilayer.
Nat.Struct.Mol.Biol., 27, 2020
6W35
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BU of 6w35 by Molmil
A new Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-fluoranyl-~{N}-[(2~{R})-1-[1-(2~{H}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide, CALCIUM ION, ...
Authors:Cuozzo, J.W.
Deposit date:2020-03-09
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Novel Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry.
J.Med.Chem., 63, 2020
3RWP
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BU of 3rwp by Molmil
Discovery of a Novel, Potent and Selective Inhibitor of 3-Phosphoinositide Dependent Kinase (PDK1)
Descriptor: 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ...
Authors:Greasley, S.E, Hickey, M, Ferre, R.-A, Krauss, M, Cronin, C.
Deposit date:2011-05-09
Release date:2011-11-16
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Discovery of Novel, Potent, and Selective Inhibitors of 3-Phosphoinositide-Dependent Kinase (PDK1).
J.Med.Chem., 54, 2011
3RWQ
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BU of 3rwq by Molmil
Discovery of a Novel, Potent and Selective Inhibitor of 3-Phosphoinositide Dependent Kinase (PDK1)
Descriptor: 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ...
Authors:Kazmirski, S, Kohls, D.
Deposit date:2011-05-09
Release date:2011-11-16
Last modified:2011-12-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of Novel, Potent, and Selective Inhibitors of 3-Phosphoinositide-Dependent Kinase (PDK1).
J.Med.Chem., 54, 2011
3WOH
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BU of 3woh by Molmil
Structure of Ketoreductase SiaM from Streptomyces sp. A7248
Descriptor: SiaM
Authors:Wang, H, Zhang, H.
Deposit date:2013-12-29
Release date:2014-08-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insight into the tetramerization of an iterative ketoreductase siam through aromatic residues in the interfaces
Plos One, 9, 2014
2QLU
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BU of 2qlu by Molmil
Crystal structure of Activin receptor type II kinase domain from human
Descriptor: ADENINE, Activin receptor type IIB, SULFATE ION
Authors:Han, S.
Deposit date:2007-07-13
Release date:2007-11-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of activin receptor type IIB kinase domain from human at 2.0 Angstrom resolution
Protein Sci., 16, 2007
5XA6
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BU of 5xa6 by Molmil
Ion channel modulation by scorpion haemolymph and its defensin ingredients uncovers origin of neurotoxins in telson formed in Paleozoic scorpion
Descriptor: BmKDfsin3
Authors:Tian, C, Wu, Y, Meng, L, Qu, D.
Deposit date:2017-03-11
Release date:2018-03-14
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Ion channel modulation by scorpion haemolymph and its defensin ingredients uncovers origin of neurotoxins in telson formed in Paleozoic scorpion
To Be Published
5EK0
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BU of 5ek0 by Molmil
Human Nav1.7-VSD4-NavAb in complex with GX-936.
Descriptor: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{N}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide, Chimera of bacterial Ion transport protein and human Sodium channel protein type 9 subunit alpha
Authors:Ahuja, S, Mukund, S, Starovasnik, M.A, Koth, C.M, Payandeh, J.
Deposit date:2015-11-03
Release date:2015-12-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.53 Å)
Cite:Structural basis of Nav1.7 inhibition by an isoform-selective small-molecule antagonist.
Science, 350, 2015
6LDL
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BU of 6ldl by Molmil
Crystal structure of CYP116B46-N(20-445) from Tepidiphilus thermophilus in complex with HEME
Descriptor: BICINE, Cytochrome P450, GLYCEROL, ...
Authors:Zhang, L.L, Xie, Z.Z, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2019-11-21
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structural insight into the electron transfer pathway of a self-sufficient P450 monooxygenase.
Nat Commun, 11, 2020
8IHQ
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BU of 8ihq by Molmil
Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3
Descriptor: Amidohydrolase family protein, ZINC ION
Authors:Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T.
Deposit date:2023-02-23
Release date:2023-08-30
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase.
J Hazard Mater, 458, 2023

 

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