7MKH
 
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5L30
 | | Factor VIIa in complex with the inhibitor (2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,15,17-trimethyl-7-[1-(1H-tetrazol-5-yl)cyclopropyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione | | Descriptor: | (2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,15,17-trimethyl-7-[1-(1H-tetrazol-5-yl)cyclopropyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione, CALCIUM ION, Coagulation factor VII (Heavy Chain), ... | | Authors: | Wei, A. | | Deposit date: | 2016-08-02 | | Release date: | 2016-09-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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5L35
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5L2Z
 | | Factor VIIa in complex with the inhibitor 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclohexane-1-carboxylic acid | | Descriptor: | 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclohexane-1-carboxylic acid, CALCIUM ION, Coagulation factor VII (Heavy Chain), ... | | Authors: | Wei, A. | | Deposit date: | 2016-08-02 | | Release date: | 2016-09-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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5L2Y
 | | Factor VIIa in complex with the inhibitor 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,20-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6,8,10(21),16,19-hexaen-7-yl] cyclobutane-1-carboxylic acid | | Descriptor: | 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclobutane-1-carboxylic acid, CALCIUM ION, Coagulation factor VII (Heavy Chain), ... | | Authors: | Wei, A. | | Deposit date: | 2016-08-02 | | Release date: | 2016-09-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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5ZBZ
 | | Crystal structure of the DEAD domain of Human eIF4A with sanguinarine | | Descriptor: | 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, Eukaryotic initiation factor 4A-I, MALONATE ION | | Authors: | Ding, Y, Ding, L. | | Deposit date: | 2018-02-14 | | Release date: | 2019-02-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.30860257 Å) | | Cite: | Targeting the N Terminus of eIF4AI for Inhibition of Its Catalytic Recycling.
Cell Chem Biol, 26, 2019
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3S7S
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3S79
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4GL5
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4GL7
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4ISI
 | | Structure of FACTOR VIIA in complex with the inhibitor (6S)-N-(4-CARBAMIMIDOYLBENZYL)-1-CHLORO-3-(CYCLOBUTYLAMINO)-8,8-DIETHYL-4-OXO-4,6,7,8-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-6-CARBOXAMIDE | | Descriptor: | (6S)-N-(4-carbamimidoylbenzyl)-1-chloro-3-(cyclobutylamino)-8,8-diethyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide, CALCIUM ION, Factor VII heavy chain, ... | | Authors: | Wei, A. | | Deposit date: | 2013-01-16 | | Release date: | 2013-02-27 | | Last modified: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Design and synthesis of bicyclic pyrazinone and pyrimidinone amides as potent TF-FVIIa inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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4I0P
 | | HLA-DO in complex with HLA-DM | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ... | | Authors: | Guce, A.I, Mortimer, S.E, Stern, L.J. | | Deposit date: | 2012-11-18 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | HLA-DO acts as a substrate mimic to inhibit HLA-DM by a competitive mechanism.
Nat.Struct.Mol.Biol., 20, 2013
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7RI5
 | | Structure of a BAM in MSP1E3D1 nanodiscs at 4 Angstrom resolution | | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | | Authors: | Wu, R.R, Noinaj, N. | | Deposit date: | 2021-07-19 | | Release date: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM.
Nat Commun, 12, 2021
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7RJ5
 | | The structure of BAM in complex with EspP at 7 Angstrom resolution | | Descriptor: | Maltodextrin-binding protein,Autotransporter outer membrane beta-barrel domain-containing protein chimera, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | | Authors: | Wu, R.R, Noinaj, N. | | Deposit date: | 2021-07-20 | | Release date: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (7 Å) | | Cite: | Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM.
Nat Commun, 12, 2021
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7RI6
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7RI7
 | | The structure of BAM in MSP1D1 nanodiscs | | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | | Authors: | Wu, R.R, Noinaj, N. | | Deposit date: | 2021-07-19 | | Release date: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (8 Å) | | Cite: | Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM.
Nat Commun, 12, 2021
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7RI4
 | | Structure of a BAM/EspP(beta9-12) hybrid-barrel intermediate | | Descriptor: | EspPbeta9-12, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | | Authors: | Wu, R.R, Noinaj, N. | | Deposit date: | 2021-07-19 | | Release date: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM.
Nat Commun, 12, 2021
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7RI9
 | | The structure of BAM in MSP1E3D1 at 6.9 Angstrom resolution | | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | | Authors: | Wu, R.R, Noinaj, N. | | Deposit date: | 2021-07-19 | | Release date: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (6.9 Å) | | Cite: | Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM.
Nat Commun, 12, 2021
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7RI8
 | | The structure of BAM in MSP2N2 nanodiscs | | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | | Authors: | Wu, R.R, Noinaj, N. | | Deposit date: | 2021-07-19 | | Release date: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (7.5 Å) | | Cite: | Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM.
Nat Commun, 12, 2021
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5GPP
 | | Crystal structure of zebrafish ASC PYD domain | | Descriptor: | ACETATE ION, Maltose-binding periplasmic protein,Apoptosis-associated speck-like protein containing a CARD, SULFATE ION, ... | | Authors: | Jin, T, Li, Y. | | Deposit date: | 2016-08-04 | | Release date: | 2017-08-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Functional and structural characterization of zebrafish ASC.
FEBS J., 285, 2018
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5GPQ
 | | Crystal Structure of zebrafish ASC CARD Domain | | Descriptor: | CITRIC ACID, Maltose-binding periplasmic protein,Apoptosis-associated speck-like protein containing a CARD, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Jin, T, Li, Y. | | Deposit date: | 2016-08-04 | | Release date: | 2017-08-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Functional and structural characterization of zebrafish ASC.
FEBS J., 285, 2018
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1MJC
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8WR2
 | | Crystal Structure of Human Pyridoxal Kinase with bound Luteolin | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, DIMETHYL SULFOXIDE, ... | | Authors: | Fan, J, Zhu, Y. | | Deposit date: | 2023-10-12 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery and characterization of natural product luteolin as an effective inhibitor of human pyridoxal kinase.
Bioorg.Chem., 143, 2024
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3N1Y
 | | X-ray Crystal Structure of Toluene/o-Xylene Monooxygenase Hydroxylase T201G Mutant | | Descriptor: | FE (III) ION, GLYCEROL, HEXAETHYLENE GLYCOL, ... | | Authors: | McCormick, M.S, Sazinsky, M.H, Lippard, S.J. | | Deposit date: | 2010-05-17 | | Release date: | 2010-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Active Site Threonine Facilitates Proton Transfer during Dioxygen Activation at the Diiron Center of Toluene/o-Xylene Monooxygenase Hydroxylase.
J.Am.Chem.Soc., 132, 2010
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3N1Z
 | | X-ray Crystal Structure of Toluene/o-Xylene Monooxygenase Hydroxylase T201S Mutant | | Descriptor: | FE (III) ION, GLYCEROL, HEXAETHYLENE GLYCOL, ... | | Authors: | McCormick, M.S, Sazinsky, M.H, Lippard, S.J. | | Deposit date: | 2010-05-17 | | Release date: | 2010-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Active Site Threonine Facilitates Proton Transfer during Dioxygen Activation at the Diiron Center of Toluene/o-Xylene Monooxygenase Hydroxylase.
J.Am.Chem.Soc., 132, 2010
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