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4NY9
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BU of 4ny9 by Molmil
Crystal Structure Of the Human PXR-LBD In Complex With N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide
Descriptor: GLYCEROL, N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide, Nuclear receptor subfamily 1 group I member 2
Authors:Khan, J.A, Camac, D.M.
Deposit date:2013-12-10
Release date:2014-08-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of the CCR1 antagonist, BMS-817399, for the treatment of rheumatoid arthritis.
J.Med.Chem., 57, 2014
4PY4
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BU of 4py4 by Molmil
Crystal structure of human poly(ADP-ribose) polymerase 14, catalytic domain in complex with an inhibitor XL2
Descriptor: 2-({4-[(1R)-1-(dimethylamino)ethyl]phenyl}amino)-6-fluoro-1,3-benzothiazole-4-carboxamide, Poly [ADP-ribose] polymerase 14
Authors:Li, J, Xu, Y.
Deposit date:2014-03-26
Release date:2015-04-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Palladium-catalyzed N-arylation of 2-aminobenzothiazole-4-carboxylates/carboxamides: facile synthesis of PARP14 inhibitors
Tetrahedron, 70, 2017
4QS4
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BU of 4qs4 by Molmil
Crystal Structure of CofB from Enterotoxigenic Escherichia coli
Descriptor: CofB, GLYCEROL, SULFATE ION
Authors:Kolappan, S, Craig, L.
Deposit date:2014-07-02
Release date:2015-06-03
Last modified:2015-11-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Minor Pilin CofB, the Initiator of CFA/III Pilus Assembly in Enterotoxigenic Escherichia coli.
J.Biol.Chem., 290, 2015
7CWL
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BU of 7cwl by Molmil
SARS-CoV-2 spike protein and P17 fab complex with one RBD in close state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab P17 heavy chain, Fab P17 light chain, ...
Authors:Wang, X, Wang, N.
Deposit date:2020-08-29
Release date:2021-01-27
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
7CWM
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BU of 7cwm by Molmil
Complex of SARS-CoV-2 spike protein and Fab P17 with one RBD in open state and two RBD in closed state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P17 heavy chain, ...
Authors:Wang, N, Wang, X.
Deposit date:2020-08-29
Release date:2020-12-16
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
7FDG
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BU of 7fdg by Molmil
SARS-COV-2 Spike RBDMACSp6 binding to hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
Authors:Wang, X, Cao, L.
Deposit date:2021-07-16
Release date:2021-08-25
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDI
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BU of 7fdi by Molmil
SARS-COV-2 Spike RBDMACSp36 binding to hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
Authors:Wang, X, Cao, L.
Deposit date:2021-07-16
Release date:2021-08-25
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDH
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BU of 7fdh by Molmil
SARS-COV-2 Spike RBDMACSp25 binding to hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
Authors:Wang, X, Cao, L.
Deposit date:2021-07-16
Release date:2021-08-25
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDK
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BU of 7fdk by Molmil
SARS-COV-2 Spike RBDMACSp36 binding to mACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
Authors:Wang, X, Cao, L.
Deposit date:2021-07-16
Release date:2021-08-25
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7CWN
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BU of 7cwn by Molmil
P17-H014 Fab cocktail in complex with SARS-CoV-2 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 glycoprotein, ...
Authors:Wang, N, Wang, X.
Deposit date:2020-08-29
Release date:2020-12-16
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
7CWO
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BU of 7cwo by Molmil
SARS-CoV-2 spike protein RBD and P17 fab complex
Descriptor: Spike glycoprotein, heavy chain of P17 Fab, light chain of P17 Fab
Authors:Wang, X, Wang, N.
Deposit date:2020-08-29
Release date:2020-12-16
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
7VR1
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BU of 7vr1 by Molmil
Cryo-EM structure of the ATP-binding cassette sub-family D member 1 from Homo sapiens
Descriptor: ATP-binding cassette sub-family D member 1
Authors:Yang, G.H, Jia, Y.T, Zhang, Y.M.
Deposit date:2021-10-21
Release date:2022-10-26
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural and functional insights of the human peroxisomal ABC transporter ALDP.
Elife, 11, 2022
4LA3
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BU of 4la3 by Molmil
Crystal structure of dimethylsulphoniopropionate (DMSP) lyase DddQ Y131A in complex with DMSP
Descriptor: 3-(dimethyl-lambda~4~-sulfanyl)propanoic acid, Dimethylsulphoniopropionate (DMSP) lyase DddQ, ZINC ION
Authors:Zhang, Y, Li, C.
Deposit date:2013-06-19
Release date:2014-01-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Molecular insight into bacterial cleavage of oceanic dimethylsulfoniopropionate into dimethyl sulfide
Proc.Natl.Acad.Sci.USA, 111, 2014
4LQY
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BU of 4lqy by Molmil
Crystal Structure of Human ENPP4 with AMP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, ...
Authors:Albright, R.A, Braddock, D.T.
Deposit date:2013-07-19
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Molecular basis of purinergic signal metabolism by ectonucleotide pyrophosphatase/phosphodiesterases 4 and 1 and implications in stroke.
J.Biol.Chem., 289, 2014
4LR2
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BU of 4lr2 by Molmil
Crystal Structure of Human ENPP4 (apo)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bis(5'-adenosyl)-triphosphatase ENPP4, ...
Authors:Albright, R.A, Braddock, D.T.
Deposit date:2013-07-19
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular basis of purinergic signal metabolism by ectonucleotide pyrophosphatase/phosphodiesterases 4 and 1 and implications in stroke.
J.Biol.Chem., 289, 2014
4LA2
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BU of 4la2 by Molmil
Crystal structure of dimethylsulphoniopropionate (DMSP) lyase DddQ
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Dimethylsulphoniopropionate (DMSP) lyase DddQ, ZINC ION
Authors:Zhang, Y, Li, C.
Deposit date:2013-06-19
Release date:2014-01-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular insight into bacterial cleavage of oceanic dimethylsulfoniopropionate into dimethyl sulfide
Proc.Natl.Acad.Sci.USA, 111, 2014
7KN4
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BU of 7kn4 by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain complexed with a pre-pandemic antibody S-E6 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S-E6 Fab heavy chain, S-E6 Fab light chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2020-11-04
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Neutralizing Antibodies to SARS-CoV-2 Selected from a Human Antibody Library Constructed Decades Ago.
Adv Sci, 9, 2022
7KN3
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BU of 7kn3 by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain complexed with a pre-pandemic antibody S-B8 Fab
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, S-B8 Fab heavy chain, ...
Authors:Liu, H, Zhu, X, Wilson, I.A.
Deposit date:2020-11-04
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Neutralizing Antibodies to SARS-CoV-2 Selected from a Human Antibody Library Constructed Decades Ago.
Adv Sci, 9, 2022
7XZO
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BU of 7xzo by Molmil
Formate-tetrahydrofolate ligase in complex with ATP
Descriptor: (R,R)-2,3-BUTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Formate--tetrahydrofolate ligase, ...
Authors:Fang, C.L, Zhang, Y.
Deposit date:2022-06-03
Release date:2023-06-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Identification of FtfL as a novel target of berberine in intestinal bacteria.
Bmc Biol., 21, 2023
7XZP
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BU of 7xzp by Molmil
Formate-tetrahydrofolate ligase in complex with berberine
Descriptor: BERBERINE, Formate--tetrahydrofolate ligase, PROLINE, ...
Authors:Fang, C.L, Zhang, Y.
Deposit date:2022-06-03
Release date:2023-06-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Identification of FtfL as a novel target of berberine in intestinal bacteria.
Bmc Biol., 21, 2023
7XZN
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BU of 7xzn by Molmil
Formate-tetrahydrofolate ligase from Peptostreptococcus anaerobius
Descriptor: 1,2-ETHANEDIOL, Formate--tetrahydrofolate ligase, TRIS(HYDROXYETHYL)AMINOMETHANE
Authors:Fang, C.L, Zhang, Y.
Deposit date:2022-06-03
Release date:2023-06-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Identification of FtfL as a novel target of berberine in intestinal bacteria.
Bmc Biol., 21, 2023
6KMH
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BU of 6kmh by Molmil
The crystal structure of CASK/Mint1 complex
Descriptor: Amyloid-beta A4 precursor protein-binding family A member 1, CHLORIDE ION, IODIDE ION, ...
Authors:Li, W, Feng, W.
Deposit date:2019-07-31
Release date:2020-08-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:CASK modulates the assembly and function of the Mint1/Munc18-1 complex to regulate insulin secretion.
Cell Discov, 6, 2020
6JYZ
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BU of 6jyz by Molmil
Crystal structure of endogalactoceramidase
Descriptor: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ISOPROPYL ALCOHOL, ...
Authors:Liuqing, C, Yan, F.
Deposit date:2019-04-29
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure of an endogalactosylceramidase from Rhodococcus hoagii 103S reveals the molecular basis of its substrate specificity.
J.Struct.Biol., 208, 2019
7XIV
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BU of 7xiv by Molmil
Structural insight into the interactions between Lloviu virus VP30 and nucleoprotein
Descriptor: Nucleocapsid protein,Minor nucleoprotein VP30
Authors:Dong, S.S, Qin, X.C, Sun, W.Y, Luan, F.C, Wang, J.J, Ma, L, Li, X.X, Yang, G.X, Hao, C.Y.
Deposit date:2022-04-14
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Structural insights into the interactions between lloviu virus VP30 and nucleoprotein.
Biochem.Biophys.Res.Commun., 616, 2022
7X5H
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BU of 7x5h by Molmil
Serotonin 5A (5-HT5A) receptor-Gi protein complex
Descriptor: 3-(2-azanylethyl)-1H-indole-5-carboxamide, 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:Tan, Y, Xu, P, Huang, S, Xu, H.E, Jiang, Y.
Deposit date:2022-03-04
Release date:2022-09-14
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into the ligand binding and G i coupling of serotonin receptor 5-HT 5A .
Cell Discov, 8, 2022

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