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1DS0
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BU of 1ds0 by Molmil
CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE
Descriptor: ACETATE ION, CLAVAMINATE SYNTHASE 1, SULFATE ION
Authors:Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J.
Deposit date:2000-01-06
Release date:2000-07-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase.
Nat.Struct.Biol., 7, 2000
1DRT
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BU of 1drt by Molmil
CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II), 2-OXOGLUTARATE AND PROCLAVAMINIC ACID
Descriptor: 2-OXOGLUTARIC ACID, 5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACID, CLAVAMINATE SYNTHASE 1, ...
Authors:Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J.
Deposit date:2000-01-06
Release date:2000-07-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase.
Nat.Struct.Biol., 7, 2000
1DRY
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BU of 1dry by Molmil
CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II), 2-OXOGLUTARATE AND N-ALPHA-L-ACETYL ARGININE
Descriptor: 2-OXOGLUTARIC ACID, CLAVAMINATE SYNTHASE 1, FE (II) ION, ...
Authors:Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J.
Deposit date:2000-01-06
Release date:2000-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase.
Nat.Struct.Biol., 7, 2000
1DS1
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BU of 1ds1 by Molmil
CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II) AND 2-OXOGLUTARATE
Descriptor: 2-OXOGLUTARIC ACID, CLAVAMINATE SYNTHASE 1, FE (II) ION, ...
Authors:Zhang, Z.H, Ren, J, Stammers, D.K, Baldwin, J.E, Harlos, K, Schofield, C.J.
Deposit date:2000-01-06
Release date:2000-07-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase.
Nat.Struct.Biol., 7, 2000
8ZQE
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BU of 8zqe by Molmil
Cryo-EM structure of the GPR15L(C11)-bound GPR15 complex
Descriptor: GPR15, 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:Zhang, Z.Y, Zheng, Y, Xu, F.
Deposit date:2024-06-02
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular recognition of the atypical chemokine-like peptide GPR15L by its cognate receptor GPR15.
Cell Discov, 10, 2024
4M84
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BU of 4m84 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1455
Descriptor: 5-amino-1-tert-butyl-3-(quinolin-2-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2013-08-12
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
4ONA
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BU of 4ona by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1517
Descriptor: 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-01-28
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
8IDN
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BU of 8idn by Molmil
Cryo-EM structure of RBD/E77-Fab complex
Descriptor: E77 Fab heavy chain, E77 Fab light chain, Spike protein S1, ...
Authors:Lu, D.F, Zhang, Z.C.
Deposit date:2023-02-13
Release date:2023-06-21
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:The structure of the RBD-E77 Fab complex reveals neutralization and immune escape of SARS-CoV-2.
Acta Crystallogr D Struct Biol, 79, 2023
4LWU
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BU of 4lwu by Molmil
The 1.14A Crystal Structure of Humanized Xenopus MDM2 with RO5499252
Descriptor: (2'S,3R,4'S,5'R)-N-(4-carbamoylphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Graves, B.J, Lukacs, C, Janson, C.A.
Deposit date:2013-07-28
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Discovery of potent and selective spiroindolinone MDM2 inhibitor, RO8994, for cancer therapy.
Bioorg.Med.Chem., 22, 2014
8BAL
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BU of 8bal by Molmil
Niako3494, a bacterial protein structure in glycoside hydrolase family 20
Descriptor: Beta-N-acetylhexosaminidase, ZINC ION
Authors:Dong, M.D, Roth, C.R, Jin, Y.J.
Deposit date:2022-10-11
Release date:2023-01-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 2022
8BBL
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BU of 8bbl by Molmil
SGL a GH20 family sulfoglycosidase
Descriptor: Beta-N-acetylhexosaminidase
Authors:Dong, M.D, Roth, C.R, Jin, Y.J.
Deposit date:2022-10-13
Release date:2023-01-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.711 Å)
Cite:Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 2022
4Z4P
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BU of 4z4p by Molmil
Structure of the MLL4 SET Domain
Descriptor: Histone-lysine N-methyltransferase 2D, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
Authors:Zhang, Z, Mittal, A, Reid, J, Reich, S, Gamblin, S.J, Wilson, J.R.
Deposit date:2015-04-02
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Evolving Catalytic Properties of the MLL Family SET Domain.
Structure, 23, 2015
4LWT
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BU of 4lwt by Molmil
The 1.6A Crystal Structure of Humanized Xenopus MDM2 with RO5027344
Descriptor: (3S)-3-[(3R)-1-acetylpiperidin-3-yl]-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2H-indol-2-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Graves, B.J, Lukacs, C, Kammlott, U.
Deposit date:2013-07-28
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of potent and selective spiroindolinone MDM2 inhibitor, RO8994, for cancer therapy.
Bioorg.Med.Chem., 22, 2014
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
5LUB
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BU of 5lub by Molmil
Crystal structure of human legumain (AEP) in complex with compound 11
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine, ...
Authors:Dall, E, Ye, K, Brandstetter, H.
Deposit date:2016-09-08
Release date:2017-03-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease.
Nat Commun, 8, 2017
5LU8
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BU of 5lu8 by Molmil
CRYSTAL STRUCTURE OF YVAD-CMK BOUND HUMAN LEGUMAIN (AEP) IN COMPLEX WITH COMPOUND 11B
Descriptor: 2,4-di(morpholin-4-yl)aniline, 2-acetamido-2-deoxy-beta-D-glucopyranose, AC-TYR-VAL-ALA-ASP-CHLOROMETHYLKETONE, ...
Authors:Dall, E, Ye, K, Brandstetter, H.
Deposit date:2016-09-08
Release date:2017-03-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease.
Nat Commun, 8, 2017
5LU9
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BU of 5lu9 by Molmil
Crystal structure of YVAD-cmk bound human legumain (AEP) in complex with compound 11
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine, AC-TYR-VAL-ALA-ASP-CHLOROMETHYLKETONE, ...
Authors:Dall, E, Ye, K, Brandstetter, H.
Deposit date:2016-09-08
Release date:2017-03-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease.
Nat Commun, 8, 2017
4ZT2
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BU of 4zt2 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1575)
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-05-14
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ZT3
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BU of 4zt3 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-(3,5-dichlorobenzyl)-N'-(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1614)
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-05-14
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ZT4
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BU of 4zt4 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitorN-(3,5-dichlorobenzyl)-2,2-difluoro-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1708)
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-05-14
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ZT6
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BU of 4zt6 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-[(4R)-6,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-N'-(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1709)
Descriptor: DIMETHYL SULFOXIDE, METHIONINE, Methionyl-tRNA synthetase, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-05-14
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ZT7
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BU of 4zt7 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-N'-(5-fluoro-3H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1717)
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-05-14
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ZT5
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BU of 4zt5 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (2S)-N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine (Chem 1655)
Descriptor: (2S)-N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-05-14
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
6A2H
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BU of 6a2h by Molmil
Architectural roles of Cren7 in folding crenarchaeal chromatin filament
Descriptor: Chromatin protein Cren7, DNA (5'-D(P*AP*AP*TP*TP*AP*C)-3'), DNA (5'-D(P*GP*TP*AP*AP*TP*T)-3')
Authors:Zhang, Z.F, Zhao, M.H, Chen, Y.Y, Wang, L, Dong, Y.H, Gong, Y, Huang, L.
Deposit date:2018-06-11
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Architectural roles of Cren7 in folding crenarchaeal chromatin filament.
Mol. Microbiol., 111, 2019
6A2I
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BU of 6a2i by Molmil
Architectural roles of Cren7 in folding crenarchaeal chromatin filament
Descriptor: Chromatin protein Cren7, DNA (5'-D(*CP*GP*TP*AP*GP*CP*TP*AP*AP*TP*TP*AP*GP*CP*TP*AP*CP*G)-3')
Authors:Zhang, Z.F, Zhao, M.H, Chen, Y.Y, Wang, L, Dong, Y.H, Gong, Y, Huang, L.
Deposit date:2018-06-11
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Architectural roles of Cren7 in folding crenarchaeal chromatin filament.
Mol. Microbiol., 111, 2019

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數據於2024-09-11公開中

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