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PDB: 460 件
7Q6S
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BU of 7q6s by Molmil
Keap1 compound complex
分子名称: (5S,8R)-16-(2,1,3-benzoxadiazol-4-yl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide, CHLORIDE ION, Kelch-like ECH-associated protein 1
著者Johansson, P.
登録日2021-11-09
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.143 Å)
主引用文献Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
7Q6Q
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BU of 7q6q by Molmil
Keap1 compound complex
分子名称: (5S,8R)-N,N-dimethyl-8-[[(2S)-1-[4-(methylamino)-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide, CHLORIDE ION, Kelch-like ECH-associated protein 1, ...
著者Johansson, P.
登録日2021-11-09
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
7Q8R
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BU of 7q8r by Molmil
Keap1 compound complex
分子名称: 3-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1
著者Johansson, P.
登録日2021-11-11
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.282 Å)
主引用文献Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
6DLO
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BU of 6dlo by Molmil
Crystal structure of LRRK2 WD40 domain dimer
分子名称: Leucine-rich repeat serine/threonine-protein kinase 2
著者Zhang, P, Ru, H, Wang, L, Wu, H.
登録日2018-06-02
公開日2019-01-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the WD40 domain dimer of LRRK2.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6DLP
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BU of 6dlp by Molmil
Crystal structure of LRRK2 WD40 domain dimer
分子名称: Leucine-rich repeat serine/threonine-protein kinase 2, PLATINUM (II) ION
著者Zhang, P, Ru, H, Wang, L, Wu, H.
登録日2018-06-02
公開日2019-01-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Crystal structure of the WD40 domain dimer of LRRK2.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6EJ2
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BU of 6ej2 by Molmil
BACE1 compound 28
分子名称: Beta-secretase 1, compound 28
著者Johansson, P.
登録日2017-09-20
公開日2018-04-18
最終更新日2018-05-09
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Toward beta-Secretase-1 Inhibitors with Improved Isoform Selectivity.
J. Med. Chem., 61, 2018
6EJ3
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BU of 6ej3 by Molmil
BACE1 compound 23
分子名称: (1r,4r)-4-methoxy-6'-(5-methyl-3-pyridinyl)-3'H-dispiro[cyclohexane-1,2'-indene-1',4''-[1,3]oxazol]-2''-amine, Beta-secretase 1
著者Johansson, P.
登録日2017-09-20
公開日2018-04-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Toward beta-Secretase-1 Inhibitors with Improved Isoform Selectivity.
J. Med. Chem., 61, 2018
6VGU
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BU of 6vgu by Molmil
Crystal structure of FERM-folded talin head domain bound to the NPLY motif of beta3-integrin
分子名称: Integrin beta-3,Talin-1
著者Zhang, P, Sun, Y, Wu, J.
登録日2020-01-09
公開日2020-12-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Crystal structure of the FERM-folded talin head reveals the determinants for integrin binding.
Proc.Natl.Acad.Sci.USA, 117, 2020
7V1A
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BU of 7v1a by Molmil
Stapled TBS peptide from RIAM bound to talin R7R8 domains
分子名称: 1,2-ETHANEDIOL, ASP-ILE-ASP-GLN-MET-PHE-SER-THR-LEU-LEU-GLY-GLU-MK8-ASP-LEU-LEU-MK8-GLN-SER, Talin-1
著者Zhang, P, Gao, T, Wu, J.
登録日2022-05-11
公開日2023-06-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.845 Å)
主引用文献Inhibition of talin-induced integrin activation by a double-hit stapled peptide.
Structure, 31, 2023
3F6G
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BU of 3f6g by Molmil
Crystal structure of the regulatory domain of LiCMS in complexed with isoleucine - type II
分子名称: Alpha-isopropylmalate synthase, ISOLEUCINE, SULFATE ION, ...
著者Zhang, P, Ma, J, Zhao, G, Ding, J.
登録日2008-11-06
公開日2009-04-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis of the inhibitor selectivity and insights into the feedback inhibition mechanism of citramalate synthase from Leptospira interrogans
Biochem.J., 421, 2009
6Z6A
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BU of 6z6a by Molmil
Keap1 macrocycle complex
分子名称: (5S,8R)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide, CHLORIDE ION, Kelch-like ECH-associated protein 1, ...
著者Johansson, P.
登録日2020-05-28
公開日2020-12-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Mining Natural Products for Macrocycles to Drug Difficult Targets.
J.Med.Chem., 64, 2021
3F6H
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BU of 3f6h by Molmil
Crystal structure of the regulatory domain of LiCMS in complexed with isoleucine - type III
分子名称: Alpha-isopropylmalate synthase, ISOLEUCINE, ZINC ION
著者Zhang, P, Ma, J, Zhao, G, Ding, J.
登録日2008-11-06
公開日2009-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis of the inhibitor selectivity and insights into the feedback inhibition mechanism of citramalate synthase from Leptospira interrogans
Biochem.J., 421, 2009
6SSH
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BU of 6ssh by Molmil
Structure of the TSC2 GAP domain
分子名称: 1,2-ETHANEDIOL, GTPase activator-like protein
著者Hansmann, P, Kiontke, S, Kummel, D.
登録日2019-09-06
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure of the TSC2 GAP Domain: Mechanistic Insight into Catalysis and Pathogenic Mutations.
Structure, 28, 2020
5HV2
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BU of 5hv2 by Molmil
Rifampin phosphotransferase G527Y mutant from Listeria monocytogenes
分子名称: Phosphoenolpyruvate synthase
著者Zhang, P, Qi, X.
登録日2016-01-28
公開日2016-03-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.912 Å)
主引用文献Structural basis of rifampin inactivation by rifampin phosphotransferase
Proc.Natl.Acad.Sci.USA, 113, 2016
5HV1
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BU of 5hv1 by Molmil
Rifampin phosphotransferase in complex with AMPPNP and rifampin from Listeria monocytogenes
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphoenolpyruvate synthase, ...
著者Zhang, P, Qi, X.
登録日2016-01-28
公開日2016-03-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.103 Å)
主引用文献Structural basis of rifampin inactivation by rifampin phosphotransferase
Proc.Natl.Acad.Sci.USA, 113, 2016
5HV6
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BU of 5hv6 by Molmil
The ATP binding domain of rifampin phosphotransferase from Listeria monocytogenes
分子名称: Phosphoenolpyruvate synthase
著者Zhang, P, Qi, X.
登録日2016-01-28
公開日2016-03-30
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (3.005 Å)
主引用文献Structural basis of rifampin inactivation by rifampin phosphotransferase
Proc.Natl.Acad.Sci.USA, 113, 2016
5HV3
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BU of 5hv3 by Molmil
Rifampin phosphotransferase G527Y mutant in complex with AMPPNP from Listeria monocytogenes
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphoenolpyruvate synthase
著者Zhang, P, Qi, X.
登録日2016-01-28
公開日2016-03-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.118 Å)
主引用文献Structural basis of rifampin inactivation by rifampin phosphotransferase
Proc.Natl.Acad.Sci.USA, 113, 2016
8JES
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BU of 8jes by Molmil
Cryo-EM structure of DltB homo-tetramer
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, DIACYL GLYCEROL, DODECYL-BETA-D-MALTOSIDE, ...
著者Zhang, P, Liu, Z.
登録日2023-05-16
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献Structural insights into the transporting and catalyzing mechanism of DltB in LTA D-alanylation.
Nat Commun, 15, 2024
8JF2
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BU of 8jf2 by Molmil
Cryo-EM structure of tetrameric DltB/DltC complex
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, D-alanyl carrier protein, DIACYL GLYCEROL, ...
著者Zhang, P, Liu, Z.
登録日2023-05-17
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insights into the transporting and catalyzing mechanism of DltB in LTA D-alanylation.
Nat Commun, 15, 2024
8JEM
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BU of 8jem by Molmil
DltB tetramer in complex with inhibitor m-AMSA
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, DIACYL GLYCEROL, DODECYL-BETA-D-MALTOSIDE, ...
著者Zhang, P, Liu, Z.
登録日2023-05-16
公開日2024-05-15
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Structural insights into the transporting and catalyzing mechanism of DltB in LTA D-alanylation.
Nat Commun, 15, 2024
3BLF
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BU of 3blf by Molmil
Crystal structure of the catalytic domain of LiCMS in complexed with pyruvate
分子名称: Citramalate synthase from Leptospira interrogans, PYRUVIC ACID, ZINC ION
著者Zhang, P, Ma, J.
登録日2007-12-11
公開日2008-11-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular basis of the substrate specificity and the catalytic mechanism of citramalate synthase from Leptospira interrogans.
Biochem.J., 415, 2008
3BLI
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BU of 3bli by Molmil
Crystal structure of the catalytic domain of LiCMS in complexed with pyruvate and acetyl-CoA
分子名称: ACETYL COENZYME *A, Citramalate synthase from Leptospira interrogans, PYRUVIC ACID, ...
著者Zhang, P, Ma, J.
登録日2007-12-11
公開日2008-11-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular basis of the substrate specificity and the catalytic mechanism of citramalate synthase from Leptospira interrogans
Biochem.J., 415, 2008
3BLE
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BU of 3ble by Molmil
Crystal structure of the catalytic domain of LiCMS in complexed with malonate
分子名称: Citramalate synthase from Leptospira interrogans, MALONATE ION, ZINC ION
著者Zhang, P, Ma, J.
登録日2007-12-11
公開日2008-11-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis of the substrate specificity and the catalytic mechanism of citramalate synthase from Leptospira interrogans
Biochem.J., 415, 2008
6KI1
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The transmembrane domain of a cyanobacterium bicarbonate transporter BicA
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BICARBONATE ION, Low affinity sulfate transporter, ...
著者Zhang, P, Wang, C.C.
登録日2019-07-17
公開日2019-11-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.809 Å)
主引用文献Structural mechanism of the active bicarbonate transporter from cyanobacteria.
Nat.Plants, 5, 2019
6KI2
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The STAS domain of cyanobacteria bicarbonate transporter BicA
分子名称: Low affinity sulfate transporter, SULFATE ION
著者Zhang, P, Wang, C.C.
登録日2019-07-17
公開日2019-11-20
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献Structural mechanism of the active bicarbonate transporter from cyanobacteria.
Nat.Plants, 5, 2019

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