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5A56
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BU of 5a56 by Molmil
The structure of GH101 from Streptococcus pneumoniae TIGR4 in complex with 1-O-methyl-T-antigen
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
Authors:Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
Deposit date:2015-06-16
Release date:2015-09-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights into Its Mechanism.
J.Biol.Chem., 290, 2015
5A57
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BU of 5a57 by Molmil
The structure of GH101 from Streptococcus pneumoniae TIGR4 in complex with PUGT
Descriptor: (Z)-[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] N-phenylcarbamate, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
Deposit date:2015-06-16
Release date:2015-09-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
5A59
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BU of 5a59 by Molmil
The structure of GH101 E796Q mutant from Streptococcus pneumoniae TIGR4 in complex with T-antigen
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
Authors:Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
Deposit date:2015-06-16
Release date:2015-09-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
5A58
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BU of 5a58 by Molmil
The structure of GH101 D764N mutant from Streptococcus pneumoniae TIGR4 in complex with serinyl T-antigen
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
Authors:Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
Deposit date:2015-06-16
Release date:2015-09-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
5DLM
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BU of 5dlm by Molmil
Complex of Influenza M2e and Antibody
Descriptor: Heavy chain of monoclonal antibody, Light chain of monoclonal antibody, Matrix protein 2, ...
Authors:Cho, K.J, Schepens, B, Moonens, K, Deng, L, Fiers, W, Remaut, H, Saelens, X.
Deposit date:2015-09-07
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Conserved Amino Terminus of the Extracellular Domain of Matrix Protein 2 of Influenza A Virus Gripped by an Antibody.
J.Virol., 90, 2015
4I3K
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BU of 4i3k by Molmil
Crystal structure of a metabolic reductase with 1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1H)-one
Descriptor: 1-hydroxy-6-(4-hydroxybenzyl)-4-methylpyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zheng, B, Yao, Y, Liu, Z, Deng, L, Anglin, J.L, Jiang, H, Prasad, B.V.V, Song, Y.
Deposit date:2012-11-26
Release date:2013-05-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.3056 Å)
Cite:Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase.
ACS Med Chem Lett, 4, 2013
4I3L
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BU of 4i3l by Molmil
Crystal structure of a metabolic reductase with 6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one
Descriptor: 6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zheng, B, Yao, Y, Liu, Z, Deng, L, Anglin, J.L, Jiang, H, Prasad, B.V.V, Song, Y.
Deposit date:2012-11-26
Release date:2013-05-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.292 Å)
Cite:Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase.
ACS Med Chem Lett, 4, 2013
4IMZ
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BU of 4imz by Molmil
Structural Basis of Substrate Specificity and Protease Inhibition in Norwalk Virus
Descriptor: Genome polyprotein, SODIUM ION, THIOCYANATE ION, ...
Authors:Prasad, B.V.V, Muhaxhiri, Z, Deng, L, Shanker, S, Sankaran, B, Estes, M.K, Palzkill, T, Song, Y.
Deposit date:2013-01-03
Release date:2013-02-20
Last modified:2013-04-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of substrate specificity and protease inhibition in norwalk virus.
J.Virol., 87, 2013
4IN1
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BU of 4in1 by Molmil
Structural Basis of Substrate Specificity and Protease Inhibition in Norwalk Virus
Descriptor: 3C-like protease, SULFATE ION
Authors:Prasad, B.V.V, Muhaxhiri, Z, Deng, L, Shanker, S, Sankaran, B, Estes, M.K, Palzkill, T, Song, Y.
Deposit date:2013-01-03
Release date:2013-02-20
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis of substrate specificity and protease inhibition in norwalk virus.
J.Virol., 87, 2013
4IMQ
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BU of 4imq by Molmil
Structural Basis of Substrate Specificity and Protease Inhibition in Norwalk Virus
Descriptor: 3C-like protease, PEPTIDE INHIBITOR, syc8, ...
Authors:Prasad, B.V.V, Muhaxhiri, Z, Deng, L, Shanker, S, Sankaran, B, Estes, M.K, Palzkill, T, Song, Y.
Deposit date:2013-01-03
Release date:2013-02-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of substrate specificity and protease inhibition in norwalk virus.
J.Virol., 87, 2013
4IN2
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BU of 4in2 by Molmil
Structural Basis of Substrate Specificity and Protease Inhibition in Norwalk Virus
Descriptor: C-like protease
Authors:Prasad, B.V.V, Muhaxhiri, Z, Deng, L, Shanker, S, Sankaran, B, Estes, M.K, Palzkill, T, Song, Y.
Deposit date:2013-01-03
Release date:2013-02-20
Last modified:2013-04-10
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Structural basis of substrate specificity and protease inhibition in norwalk virus.
J.Virol., 87, 2013
4INH
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BU of 4inh by Molmil
Structural Basis of Substrate Specificity and Protease Inhibition in Norwalk Virus
Descriptor: DIMETHYL SULFOXIDE, Genome polyprotein, peptide inhibitor, ...
Authors:Prasad, B.V.V, Muhaxhiri, Z, Deng, L, Shanker, S, Sankaran, B, Estes, M.K, Palzkill, T, Song, Y.
Deposit date:2013-01-04
Release date:2013-02-20
Last modified:2013-04-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of substrate specificity and protease inhibition in norwalk virus.
J.Virol., 87, 2013
4GAE
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BU of 4gae by Molmil
Crystal structure of plasmodium dxr in complex with a pyridine-containing inhibitor
Descriptor: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, ...
Authors:Diao, J, Xue, J, Cai, G, Deng, L, Song, Y.
Deposit date:2012-07-25
Release date:2013-02-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Antimalarial and Structural Studies of Pyridine-containing Inhibitors of 1-Deoxyxylulose-5-phosphate Reductoisomerase.
ACS Med Chem Lett, 4, 2013
7VUX
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BU of 7vux by Molmil
Complex structure of PD1 and 609A-Fab
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Huang, H, Zhu, Z, Zhao, J, Jiang, L, Yang, H, Deng, L, Meng, X, Ding, J, Yang, S, Zhao, L, Xu, W, Wang, X.
Deposit date:2021-11-04
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A strategy for the efficient construction of anti-PD1-based bispecific antibodies with desired IgG-like properties.
Mabs, 14, 2022
3CAD
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BU of 3cad by Molmil
Crystal structure of Natural Killer Cell Receptor, Ly49G
Descriptor: Lectin-related NK cell receptor LY49G1
Authors:Cho, S.
Deposit date:2008-02-19
Release date:2008-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular Architecture of the Major Histocompatibility Complex Class I-binding Site of Ly49 Natural Killer Cell Receptors.
J.Biol.Chem., 283, 2008
4RHR
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BU of 4rhr by Molmil
Crystal structure of PltB
Descriptor: ACETATE ION, Putative pertussis-like toxin subunit
Authors:Gao, X, Wang, J, Galan, J.
Deposit date:2014-10-02
Release date:2014-10-29
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (2.079 Å)
Cite:Host adaptation of a bacterial toxin from the human pathogen salmonella typhi.
Cell(Cambridge,Mass.), 159, 2014
4RHS
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BU of 4rhs by Molmil
Crystal structure of GD2 bound PltB
Descriptor: ACETATE ION, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, Putative pertussis-like toxin subunit
Authors:Gao, X, Wang, J, Galan, J.
Deposit date:2014-10-02
Release date:2014-10-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9211 Å)
Cite:Host adaptation of a bacterial toxin from the human pathogen salmonella typhi.
Cell(Cambridge,Mass.), 159, 2014
2F8P
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BU of 2f8p by Molmil
Crystal structure of obelin following Ca2+ triggered bioluminescence suggests neutral coelenteramide as the primary excited state
Descriptor: CALCIUM ION, N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE, Obelin
Authors:Liu, Z.J, Stepanyuk, G.A, Vysotski, E.S, Lee, J, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2005-12-03
Release date:2006-02-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structure of obelin after Ca2+-triggered bioluminescence suggests neutral coelenteramide as the primary excited state.
Proc.Natl.Acad.Sci.Usa, 103, 2006
3QRY
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BU of 3qry by Molmil
Analysis of a new family of widely distributed metal-independent alpha mannosidases provides unique insight into the processing of N-linked glycans, Streptococcus pneumoniae SP_2144 1-deoxymannojirimycin complex
Descriptor: 1,2-ETHANEDIOL, 1-DEOXYMANNOJIRIMYCIN, Putative uncharacterized protein
Authors:Gregg, K.J, Zandberg, W.F, Hehemann, J.-H, Whitworth, G.E, Deng, L.E, Vocadlo, D.J, Boraston, A.B.
Deposit date:2011-02-18
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Analysis of a New Family of Widely Distributed Metal-independent {alpha}-Mannosidases Provides Unique Insight into the Processing of N-Linked Glycans.
J.Biol.Chem., 286, 2011
3QPF
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BU of 3qpf by Molmil
Analysis of a New Family of Widely Distributed Metal-independent alpha-Mannosidases Provides Unique Insight into the Processing of N-linked Glycans, Streptococcus pneumoniae SP_2144 apo-structure
Descriptor: 1,2-ETHANEDIOL, Putative uncharacterized protein
Authors:Gregg, K.J, Zandberg, W.F, Hehemann, J.-H, Whitworth, G.E, Deng, L.E, Vocadlo, D.J.
Deposit date:2011-02-12
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Analysis of a New Family of Widely Distributed Metal-independent {alpha}-Mannosidases Provides Unique Insight into the Processing of N-Linked Glycans.
J.Biol.Chem., 286, 2011
3QT9
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BU of 3qt9 by Molmil
Analysis of a new family of widely distributed metal-independent alpha mannosidases provides unique insight into the processing of N-linked glycans, Clostridium perfringens CPE0426 complexed with alpha-1,6-linked 1-thio-alpha-mannobiose
Descriptor: 1,2-ETHANEDIOL, Putative uncharacterized protein CPE0426, alpha-D-mannopyranose-(1-6)-6-thio-alpha-D-mannopyranose
Authors:Gregg, K.J, Zandberg, W.F, Hehemann, J.-H, Whitworth, G.E, Deng, L.E, Vocadlo, D.J, Boraston, A.B.
Deposit date:2011-02-22
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Analysis of a New Family of Widely Distributed Metal-independent {alpha}-Mannosidases Provides Unique Insight into the Processing of N-Linked Glycans.
J.Biol.Chem., 286, 2011
3QT3
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BU of 3qt3 by Molmil
Analysis of a New Family of Widely Distributed Metal-independent alpha-Mannosidases Provides Unique Insight into the Processing of N-linked Glycans, Clostridium perfringens CPE0426 apo-structure
Descriptor: 1,2-ETHANEDIOL, Putative uncharacterized protein CPE0426
Authors:Gregg, K.J, Zandberg, W.F, Hehemann, J.-H, Whitworth, G.E, Deng, L.E, Vocadlo, D.J, Boraston, A.B.
Deposit date:2011-02-22
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Analysis of a New Family of Widely Distributed Metal-independent {alpha}-Mannosidases Provides Unique Insight into the Processing of N-Linked Glycans.
J.Biol.Chem., 286, 2011
3QSP
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BU of 3qsp by Molmil
Analysis of a new family of widely distributed metal-independent alpha mannosidases provides unique insight into the processing of N-linked glycans, Streptococcus pneumoniae SP_2144 non-productive substrate complex with alpha-1,6-mannobiose
Descriptor: 1,2-ETHANEDIOL, Putative uncharacterized protein, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose
Authors:Gregg, K.J, Zandberg, W.F, Hehemann, J.-H, Whitworth, G.E, Deng, L.E, Vocadlo, D.J, Boraston, A.B.
Deposit date:2011-02-21
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Analysis of a New Family of Widely Distributed Metal-independent {alpha}-Mannosidases Provides Unique Insight into the Processing of N-Linked Glycans.
J.Biol.Chem., 286, 2011
8SBJ
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BU of 8sbj by Molmil
Co-structure Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform complexed with brain penetrant inhibitors
Descriptor: (2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Knapp, M.S, Elling, R.A, Tang, J.
Deposit date:2023-04-03
Release date:2023-07-19
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Identification of Brain-Penetrant ATP-Competitive mTOR Inhibitors for CNS Syndromes.
J.Med.Chem., 66, 2023
8SBC
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BU of 8sbc by Molmil
Co-structure of Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform and brain penetrant inhibitors
Descriptor: (2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
Authors:Knapp, M.S, Elling, R.A, Tang, J.
Deposit date:2023-04-03
Release date:2023-07-19
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of Brain-Penetrant ATP-Competitive mTOR Inhibitors for CNS Syndromes.
J.Med.Chem., 66, 2023

219869

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