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6ILJ
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BU of 6ilj by Molmil
Cryo-EM structure of Echovirus 6 complexed with its attachment receptor CD55 at PH 5.5
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Gao, G.F, Liu, S, Zhao, X, Peng, R.
Deposit date:2018-10-18
Release date:2019-05-15
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B.
Cell, 177, 2019
8HQV
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BU of 8hqv by Molmil
The complex structure of COPI cargo sorting module with HCoV-OC43 Spike KTSHxx sorting motif
Descriptor: Coatomer subunit beta', HCoV-OC43 Spike KTSHxx sorting motif
Authors:Ma, W.F, Nan, Y.N, Yang, M.R, Li, Y.Q.
Deposit date:2022-12-14
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.398 Å)
Cite:Tighter ER retention of SARS-CoV-2 Omicron spike caused by a constellation of folding disruptive mutations
To Be Published
8HQW
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BU of 8hqw by Molmil
The complex structure of COPI cargo sorting module with MHV Spike Hxx sorting motif
Descriptor: Coatomer subunit beta',MHV Spike Hxx sorting motif
Authors:Ma, W.F, Nan, Y.N, Yang, M.R, Li, Y.Q.
Deposit date:2022-12-14
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.405 Å)
Cite:Tighter ER retention of SARS-CoV-2 Omicron spike caused by a constellation of folding disruptive mutations
To Be Published
8HR0
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BU of 8hr0 by Molmil
The complex structure of COPII coat with HCoV-OC43 DD sorting motif
Descriptor: HCoV-OC43, Protein transport protein Sec23A, Protein transport protein Sec24A, ...
Authors:Ma, W.F, Nan, Y.N, Yang, M.R, Li, Y.Q.
Deposit date:2022-12-14
Release date:2023-12-20
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Tighter ER retention of SARS-CoV-2 Omicron spike caused by a constellation of folding disruptive mutations
To Be Published
3RD8
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BU of 3rd8 by Molmil
Crystal structure of fumarate hydratase class II Mycobacterium smegmatis
Descriptor: Fumarate hydratase class II
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-04-01
Release date:2011-06-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
6W3H
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BU of 6w3h by Molmil
Brain delivery of therapeutic proteins using an Fc fragment blood-brain barrier transport vehicle in mice and monkeys
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ATV Fc, Transferrin receptor protein 1,Transferrin receptor protein 1
Authors:Srivastava, A, Kariolis, M, Wells, R.
Deposit date:2020-03-09
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Brain delivery of therapeutic proteins using an Fc fragment blood-brain barrier transport vehicle in mice and monkeys.
Sci Transl Med, 12, 2020
5TSU
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BU of 5tsu by Molmil
Active conformation for Engineered human cystathionine gamma lyase (E59N, R119L, E339V) to depleting methionine
Descriptor: CYSTEINE, Cystathionine gamma-lyase, METHIONINE, ...
Authors:Yan, W, Zhang, Y.
Deposit date:2016-10-31
Release date:2017-10-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Snapshots of an Engineered Cystathionine-gamma-lyase Reveal the Critical Role of Electrostatic Interactions in the Active Site.
Biochemistry, 56, 2017
3R0O
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BU of 3r0o by Molmil
Crystal structure of carnitinyl-CoA hydratase from Mycobacterium avium
Descriptor: 1,2-ETHANEDIOL, Carnitinyl-CoA dehydratase, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-03-08
Release date:2011-03-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3RSI
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BU of 3rsi by Molmil
The structure of a putative enoyl-CoA hydratase/isomerase from Mycobacterium abscessus ATCC 19977 / DSM 44196
Descriptor: GLYCEROL, IODIDE ION, Putative enoyl-CoA hydratase/isomerase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-05-02
Release date:2011-05-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
8DV1
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BU of 8dv1 by Molmil
SARS-CoV-2 Wuhan-hu-1-Spike-RBD bound to linker variant of affinity matured ACE2 mimetic CVD432
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Immunoglobulin gamma-1 heavy chain fusion,Immunoglobulin gamma-1 heavy chain, Spike glycoprotein
Authors:QCRG Structural Biology Consortium, Remesh, S.G, Merz, G.E, Brilot, A.F, Chio, U, Verba, K.A.
Deposit date:2022-07-27
Release date:2022-08-31
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Computational pipeline provides mechanistic understanding of Omicron variant of concern neutralizing engineered ACE2 receptor traps.
Structure, 31, 2023
8DV2
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BU of 8dv2 by Molmil
SARS-CoV-2 Wuhan-hu-1-Spike-RBD bound to computationally engineered ACE2 mimetic CVD293
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Immunoglobulin gamma-1 heavy chain fusion, Spike glycoprotein
Authors:QCRG Structural Biology Consortium, Remesh, S.G, Merz, G.E, Brilot, A.F, Chio, U, Verba, K.A.
Deposit date:2022-07-27
Release date:2022-08-31
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Computational pipeline provides mechanistic understanding of Omicron variant of concern neutralizing engineered ACE2 receptor traps.
Structure, 31, 2023
8BRB
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BU of 8brb by Molmil
Polyester Hydrolase Leipzig 7 (PHL7) bound to terephthalic acid (TPA)
Descriptor: DIMETHYL SULFOXIDE, Polyester Hydrolase Leipzig 7 (PHL-7), catalysis-deficient S131A mutant, ...
Authors:Richter, P.K, Strater, N.
Deposit date:2022-11-22
Release date:2023-04-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and function of the metagenomic plastic-degrading polyester hydrolase PHL7 bound to its product.
Nat Commun, 14, 2023
3EFJ
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BU of 3efj by Molmil
Structure of c-Met with pyrimidone inhibitor 7
Descriptor: 2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor
Authors:D'Angelo, N, Bellon, S, Whittington, D.
Deposit date:2008-09-09
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design, synthesis, and biological evaluation of potent c-Met inhibitors.
J.Med.Chem., 51, 2008
7MFL
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BU of 7mfl by Molmil
Structure of the Clostridium perfringens GH89 in complex with beta-HNJNAc
Descriptor: 1,2-ETHANEDIOL, Alpha-N-acetylglucosaminidase family protein, CALCIUM ION, ...
Authors:Boraston, A.B.
Deposit date:2021-04-09
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Iminosugar C-Glycosides Work as Pharmacological Chaperones of NAGLU, a Glycosidase Involved in MPS IIIB Rare Disease*.
Chemistry, 27, 2021
7KC1
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BU of 7kc1 by Molmil
Cryo-EM structure of SRR2899884.46167H+MEDI8852L fab in complex with Victoria HA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2020-10-04
Release date:2021-05-12
Last modified:2021-07-14
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Sequence-Signature Optimization Enables Improved Identification of Human HV6-1-Derived Class Antibodies That Neutralize Diverse Influenza A Viruses.
Front Immunol, 12, 2021
6W90
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BU of 6w90 by Molmil
De novo designed NTF2 fold protein NT-9
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, NTF2 fold protein loop-helix-loop design NT-9
Authors:Thompson, M.C, Pan, X, Liu, L, Fraser, J.S, Kortemme, T.
Deposit date:2020-03-21
Release date:2020-08-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Expanding the space of protein geometries by computational design of de novo fold families.
Science, 369, 2020
8EGI
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BU of 8egi by Molmil
X-ray structure of carbonmonoxy hemoglobin in complex with VZHE039-NO
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Donkor, A.K, Musayev, F.N, Safo, M.K.
Deposit date:2022-09-12
Release date:2022-11-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, Synthesis, and Investigation of Novel Nitric Oxide (NO)-Releasing Aromatic Aldehydes as Drug Candidates for the Treatment of Sickle Cell Disease.
Molecules, 27, 2022
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
7MFK
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BU of 7mfk by Molmil
Structure of the Clostridium perfringens GH89 in complex with alpha-HNJNAc
Descriptor: 1,2-ETHANEDIOL, Alpha-N-acetylglucosaminidase family protein, CALCIUM ION, ...
Authors:Boraston, A.B.
Deposit date:2021-04-09
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Iminosugar C-Glycosides Work as Pharmacological Chaperones of NAGLU, a Glycosidase Involved in MPS IIIB Rare Disease*.
Chemistry, 27, 2021
5H6I
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BU of 5h6i by Molmil
Crystal Structure of GBS CAMP Factor
Descriptor: CHLORIDE ION, Protein B, SULFATE ION
Authors:Jin, T.C, Brefo-Mensah, E.K.
Deposit date:2016-11-13
Release date:2017-11-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of theStreptococcus agalactiaeCAMP factor provides insights into its membrane-permeabilizing activity.
J.Biol.Chem., 293, 2018
3T3W
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BU of 3t3w by Molmil
Crystal structure of probable enoyl-COA hydratase from mycobacterium thermoresistibile
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Enoyl-CoA hydratase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-07-25
Release date:2011-09-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3SVT
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BU of 3svt by Molmil
Structure of a short-chain type dehydrogenase/reductase from Mycobacterium ulcerans
Descriptor: CHLORIDE ION, SODIUM ION, Short-chain type dehydrogenase/reductase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-07-12
Release date:2011-07-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3I5N
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BU of 3i5n by Molmil
Crystal structure of c-Met with triazolopyridazine inhibitor 13
Descriptor: 7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine, Hepatocyte growth factor receptor
Authors:Bellon, S.F, Whittington, D.A, Long, A.M, Boezio, A.A.
Deposit date:2009-07-06
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and optimization of potent and selective triazolopyridazine series of c-Met inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
3R9Q
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BU of 3r9q by Molmil
Structure of a probable enoyl-coa hydratase/isomerase from Mycobacterium abscessus ATCC 19977 / DSM 44196
Descriptor: CHLORIDE ION, GLYCEROL, enoyl-coA hydratase/isomerase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-03-25
Release date:2011-04-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
6XD9
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BU of 6xd9 by Molmil
Carbonmonoxy hemoglobin in complex with the antisickling agent 2-hydroxy-6-((6-(hydroxymethyl)pyridin-2-yl)methoxy)benzaldehyde (VZHE039)
Descriptor: 3-{[6-(hydroxymethyl)pyridin-2-yl]methoxy}-2-methylphenol, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Pagare, P.P, Safo, M.K, Musayev, F.N.
Deposit date:2020-06-10
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:VZHE-039, a novel antisickling agent that prevents erythrocyte sickling under both hypoxic and anoxic conditions.
Sci Rep, 10, 2020

222624

数据于2024-07-17公开中

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