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8IRQ
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BU of 8irq by Molmil
Larimichthys crocea IFNd
Descriptor: Interferon d
Authors:Chen, J.J.
Deposit date:2023-03-19
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structure of large yellow croaker IFNd at 1.49 Angstrom resolution.
To Be Published
7CIX
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BU of 7cix by Molmil
Crystal Structure of Agmatine N-Acetyltransferase mutant S171A in complex with CoA
Descriptor: Agmatine N-acetyltransferase, COENZYME A
Authors:Chen, J.J, Hu, I.C, Wu, C.Y, Lyu, P.C.
Deposit date:2020-07-08
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.748 Å)
Cite:Crystal Structure of Agmatine N-Acetyltransferase mutant S171A in complex with CoA
To Be Published
7CIW
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BU of 7ciw by Molmil
Crystal Structure of Agmatine N-Acetyltransferase mutant S171A in complex with Ac-Agm and CoA
Descriptor: Agmatine N-acetyltransferase, COENZYME A, N-(4-carbamimidamidobutyl)ethanamide
Authors:Chen, J.J, Hu, I.C, Wu, C.Y, Lyu, P.C.
Deposit date:2020-07-08
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Agmatine N-Acetyltransferase mutant S171A in complex with Ac-Agm and CoA
To Be Published
7CIU
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BU of 7ciu by Molmil
Crystal Structure of Agmatine N-Acetyltransferase mutant S171A apo form
Descriptor: Agmatine N-acetyltransferase
Authors:Chen, J.J, Hu, I.C, Lai, C.H, Lyu, P.C.
Deposit date:2020-07-08
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.825 Å)
Cite:Crystal Structure of Agmatine N-Acetyltransferase mutant S171A
To Be Published
7CIV
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BU of 7civ by Molmil
Crystal Structure of Agmatine N-Acetyltransferase mutant S171A in complex with Ac-CoA
Descriptor: ACETYL COENZYME *A, Agmatine N-acetyltransferase
Authors:Chen, J.J, Hu, I.C, Lai, C.H, Lyu, P.C.
Deposit date:2020-07-08
Release date:2021-08-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Crystal Structure of Agmatine N-Acetyltransferase mutant S171A in complex with Ac-CoA
To Be Published
1EQX
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BU of 1eqx by Molmil
SOLUTION STRUCTURE DETERMINATION AND MUTATIONAL ANALYSIS OF THE PAPILLOMAVIRUS E6-INTERACTING PEPTIDE OF E6AP
Descriptor: PAPILLOMAVIRUS E6-ASSOCIATED PROTEIN
Authors:Be, X, Hong, Y, Androphy, E.J, Chen, J.J, Baleja, J.D.
Deposit date:2000-04-06
Release date:2001-02-28
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure determination and mutational analysis of the papillomavirus E6 interacting peptide of E6AP.
Biochemistry, 40, 2001
8HUH
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BU of 8huh by Molmil
Crystal structure of T2R-TTL-3a complex
Descriptor: 2-(1-methylindol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1~{H}-imidazo[4,5-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y.X, Chen, J.J.
Deposit date:2022-12-23
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of T2R-TTL-3a complex
To Be Published
6LSM
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BU of 6lsm by Molmil
Tubulin Polymerization Inhibitors
Descriptor: 2-(4-methylphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Gang, L, Wang, Y.X, Chen, J.J.
Deposit date:2020-01-17
Release date:2021-01-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.751 Å)
Cite:Design, Synthesis, and Bioevaluation of Pyrazolo[1,5-a]Pyrimidine Derivatives as Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site with Potent Anticancer Activities
To Be Published
4XKX
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BU of 4xkx by Molmil
Crystal structure of BACE1 in complex with 2-aminooxazoline 3-azaxanthene inhibitor 28
Descriptor: (5S)-7-(2-fluoropyridin-3-yl)-3-(2-fluoropyridin-4-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ...
Authors:Whittington, D.A, Long, A.M.
Deposit date:2015-01-12
Release date:2015-02-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Development of 2-aminooxazoline 3-azaxanthenes as orally efficacious beta-secretase inhibitors for the potential treatment of Alzheimer's disease.
Bioorg.Med.Chem.Lett., 25, 2015
7WZ5
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BU of 7wz5 by Molmil
Larimichthys crocea IFNi
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interferon C
Authors:Chen, J.J.
Deposit date:2022-02-17
Release date:2023-02-08
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Molecular and Structural Basis of Receptor Binding and Signaling of a Fish Type I IFN with Three Disulfide Bonds.
J Immunol., 209, 2022
4WTU
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BU of 4wtu by Molmil
Crystal structure of BACE1 in complex with 2-aminooxazoline 3-aza-4-fluoro-xanthene inhibitor 22
Descriptor: (5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ...
Authors:Whittington, D.A, Long, A.M.
Deposit date:2014-10-30
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An Orally Available BACE1 Inhibitor That Affords Robust CNS A beta Reduction without Cardiovascular Liabilities.
Acs Med.Chem.Lett., 6, 2015
6PGO
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BU of 6pgo by Molmil
Crystal structure of human KRAS G12C covalently bound to a phthalazine inhibitor
Descriptor: 1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Mohr, C.
Deposit date:2019-06-24
Release date:2019-12-25
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of a Covalent Inhibitor of KRASG12C(AMG 510) for the Treatment of Solid Tumors.
J.Med.Chem., 63, 2020
6PGP
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BU of 6pgp by Molmil
Crystal structure of human KRAS G12C covalently bound to a quinazolinone inhibitor
Descriptor: 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1H)-one, CALCIUM ION, GTPase KRas, ...
Authors:Mohr, C, Whittington, D.A.
Deposit date:2019-06-24
Release date:2019-12-25
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of a Covalent Inhibitor of KRASG12C(AMG 510) for the Treatment of Solid Tumors.
J.Med.Chem., 63, 2020
7K9P
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BU of 7k9p by Molmil
Room temperature structure of NSP15 Endoribonuclease from SARS CoV-2 solved using SFX.
Descriptor: CITRIC ACID, Uridylate-specific endoribonuclease
Authors:Botha, S, Jernigan, R, Chen, J, Coleman, M.A, Frank, M, Grant, T.D, Hansen, D.T, Ketawala, G, Logeswaran, D, Martin-Garcia, J, Nagaratnam, N, Raj, A.L.L.X, Shelby, M, Yang, J.-H, Yung, M.C, Fromme, P.
Deposit date:2020-09-29
Release date:2020-10-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Room-temperature structural studies of SARS-CoV-2 protein NendoU with an X-ray free-electron laser.
Structure, 2022
6LSN
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BU of 6lsn by Molmil
Crystal structure of tubulin-inhibitor complex
Descriptor: 2-(1-methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Gang, L, Wang, Y.X, Cheng, J.J.
Deposit date:2020-01-17
Release date:2021-01-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.445 Å)
Cite:Design, Synthesis, and Bioevaluation of Pyrazolo[1,5-a]Pyrimidine Derivatives as Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site with Potent Anticancer Activities
To Be Published
6JBS
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BU of 6jbs by Molmil
Bifunctional xylosidase/glucosidase LXYL
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gong, W.M, Yang, L.Y.
Deposit date:2019-01-26
Release date:2020-02-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of beta-glycosidase LXYL-P1-2 reveals the product binding state of GH3 family and a specific pocket for Taxol recognition.
Commun Biol, 3, 2020
6KJ0
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BU of 6kj0 by Molmil
Bifunctional xylosidase/glucosidase LXYL mutant E529Q C2221
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-xylosidase/beta-D-glucosidase, Deacetyltaxol, ...
Authors:Gong, W.M, Yang, L.Y.
Deposit date:2019-07-20
Release date:2020-02-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structures of beta-glycosidase LXYL-P1-2 reveals the product binding state of GH3 family and a specific pocket for Taxol recognition.
Commun Biol, 3, 2020
4WF7
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BU of 4wf7 by Molmil
Crystal structures of trehalose synthase from Deinococcus radiodurans reveal that a closed conformation is involved in the intramolecular isomerization catalysis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, MAGNESIUM ION, ...
Authors:Wang, Y.L, Chow, S.Y, Lin, Y.T, Hsieh, Y.C, Lee, G.C, Liaw, S.H.
Deposit date:2014-09-13
Release date:2014-12-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structures of trehalose synthase from Deinococcus radiodurans reveal that a closed conformation is involved in catalysis of the intramolecular isomerization.
Acta Crystallogr.,Sect.D, 70, 2014
4O26
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BU of 4o26 by Molmil
Crystal structure of the TRBD domain of TERT and the CR4/5 of TR
Descriptor: SULFATE ION, Telomerase TR, Telomerase reverse transcriptase
Authors:Huang, J, Wu, J, Lei, M.
Deposit date:2013-12-16
Release date:2014-05-07
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:Structural basis for protein-RNA recognition in telomerase.
Nat.Struct.Mol.Biol., 21, 2014
4TVU
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BU of 4tvu by Molmil
Crystal structure of trehalose synthase from Deinococcus radiodurans reveals a closed conformation for catalysis of the intramolecular isomerization
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, MAGNESIUM ION, ...
Authors:Wang, Y.L, Chow, S.Y, Lin, Y.T, Liaw, S.H.
Deposit date:2014-06-28
Release date:2014-12-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structures of trehalose synthase from Deinococcus radiodurans reveal that a closed conformation is involved in catalysis of the intramolecular isomerization.
Acta Crystallogr.,Sect.D, 70, 2014

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PDB entries from 2024-04-17

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