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7M7D
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BU of 7m7d by Molmil
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-8968
Descriptor: (5S)-6,6-dimethyl-8-[(4S)-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Leonard, P.G, Cross, J.B.
Deposit date:2021-03-27
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.
J.Med.Chem., 64, 2021
7M63
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BU of 7m63 by Molmil
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-70099
Descriptor: (2R)-N-(4-chlorophenyl)-2-[(1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide, Indoleamine 2,3-dioxygenase 1
Authors:Leonard, P.G, Cross, J.B.
Deposit date:2021-03-25
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.
J.Med.Chem., 64, 2021
5UHF
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BU of 5uhf by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with D-IX336
Descriptor: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-11
Release date:2017-04-12
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (4.345 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
5UHA
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BU of 5uha by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex
Descriptor: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-11
Release date:2017-04-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.906 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
5UHG
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BU of 5uhg by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with D-AAP1 and Rifampin
Descriptor: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-11
Release date:2017-04-12
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.971 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
5UH6
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BU of 5uh6 by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 2ntRNA in complex with Rifampin
Descriptor: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-11
Release date:2017-04-12
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.837 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
5UH8
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BU of 5uh8 by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 4nt RNA
Descriptor: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-11
Release date:2017-04-12
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (4.176 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
5UHB
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BU of 5uhb by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with Rifampin
Descriptor: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-11
Release date:2017-04-12
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (4.29 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
5UH9
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BU of 5uh9 by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 2nt RNA
Descriptor: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-11
Release date:2017-04-12
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (4.402 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
5UHE
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BU of 5uhe by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with D-AAP1
Descriptor: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-11
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.039 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
5UH7
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BU of 5uh7 by Molmil
Crystal structure of beta'MtbSI of Mycobacterium tuberculosis RNA polymerase
Descriptor: DNA-directed RNA polymerase subunit beta'
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-11
Release date:2017-04-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
5UHD
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BU of 5uhd by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 4nt RNA in complex with Rifampin
Descriptor: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-11
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.01 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
5UH5
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BU of 5uh5 by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 3 nt of RNA
Descriptor: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-10
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.746 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
5UHC
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BU of 5uhc by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 3nt RNA in complex with Rifampin
Descriptor: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lin, W, Das, K, Feng, Y, Ebright, R.H.
Deposit date:2017-01-11
Release date:2017-04-12
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.796 Å)
Cite:Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
3TYQ
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BU of 3tyq by Molmil
SAR development and discovery of potent indole-based inhibitors of the hepatitis c virus NS5B polymerase
Descriptor: 5-ethyl-1-(2-fluoro-5-nitrobenzyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase
Authors:Lesburg, C.A, Chen, K.X.
Deposit date:2011-09-26
Release date:2012-02-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Novel Class of Highly Potent Irreversible Hepatitis C Virus NS5B Polymerase Inhibitors.
J.Med.Chem., 55, 2012
3TYV
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BU of 3tyv by Molmil
SAR development and discovery of potent indole-based inhibitors of the hepatitis C virus NS5B polymerase
Descriptor: N-(cyclopropylsulfonyl)-1-(2,5-difluorobenzyl)-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide, PHOSPHATE ION, RNA-directed RNA polymerase
Authors:Lesburg, C.A, Chen, K.X.
Deposit date:2011-09-26
Release date:2012-02-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-Activity Relationship (SAR) Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus (HCV) NS5B Polymerase.
J.Med.Chem., 55, 2012
5HYA
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BU of 5hya by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchangerNCX_Mj soaked with 150 mM Na+ and nominal Ca2+
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ACETATE ION, CALCIUM ION, ...
Authors:Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
Deposit date:2016-02-01
Release date:2016-05-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger
Nat.Struct.Mol.Biol., 23, 2016
5HWX
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BU of 5hwx by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and zero Ca2+
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, PENTADECANE, ...
Authors:Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
Deposit date:2016-01-29
Release date:2016-05-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger
Nat.Struct.Mol.Biol., 23, 2016
5HXC
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BU of 5hxc by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 20 mM Na+ and zero Ca2+
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, CALCIUM ION, ...
Authors:Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
Deposit date:2016-01-30
Release date:2016-05-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger
Nat.Struct.Mol.Biol., 23, 2016
5HXE
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BU of 5hxe by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 100 mM Na+ and zero Ca2+
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, PENTADECANE, ...
Authors:Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
Deposit date:2016-01-30
Release date:2016-05-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.288 Å)
Cite:Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger
Nat.Struct.Mol.Biol., 23, 2016
5HXS
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BU of 5hxs by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 10mM Sr2+
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, PENTADECANE, ...
Authors:Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
Deposit date:2016-01-31
Release date:2016-05-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.789 Å)
Cite:Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger
Nat.Struct.Mol.Biol., 23, 2016
5HXR
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BU of 5hxr by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 10mM Ca2+
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, PENTADECANE, ...
Authors:Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
Deposit date:2016-01-31
Release date:2016-05-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.463 Å)
Cite:Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger
Nat.Struct.Mol.Biol., 23, 2016
5JDF
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BU of 5jdf by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 1mM Ca2+
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, PENTADECANE, ...
Authors:Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
Deposit date:2016-04-16
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
5JDQ
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BU of 5jdq by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 100 mM Na+ and 10mM Sr2+
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, PENTADECANE, ...
Authors:Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
Deposit date:2016-04-17
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
5JDH
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BU of 5jdh by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 10 mM Na+ and 10mM Ca2+
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CALCIUM ION, ...
Authors:Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
Deposit date:2016-04-16
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016

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數據於2024-07-10公開中

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