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PDB: 1022 results

6MRG
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BU of 6mrg by Molmil
FAAH bound to non covalent inhibitor
Descriptor: (1R)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol, Fatty-acid amide hydrolase 1
Authors:Saha, A, Shih, A, Mirzadegan, T, Seierstad, M.
Deposit date:2018-10-12
Release date:2018-10-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Predicting the Binding of Fatty Acid Amide Hydrolase Inhibitors by Free Energy Perturbation.
J Chem Theory Comput, 14, 2018
4LRJ
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BU of 4lrj by Molmil
Bacterial Effector NleH1 Kinase Domain with AMPPNP and Mg2+
Descriptor: Effector NleH1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Cygler, M, Grishin, A.M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2013-07-19
Release date:2014-01-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.619 Å)
Cite:NleH defines a new family of bacterial effector kinases.
Structure, 22, 2014
4LRK
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BU of 4lrk by Molmil
Bacterial Effector NleH2 Kinase Domain
Descriptor: Effector NleH2
Authors:Cygler, M, Grishin, A.M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2013-07-19
Release date:2014-01-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.274 Å)
Cite:NleH defines a new family of bacterial effector kinases.
Structure, 22, 2014
7VBV
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BU of 7vbv by Molmil
Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 7
Descriptor: ACETATE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T.
Deposit date:2021-09-01
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors.
Bioorg.Med.Chem., 52, 2021
7CP5
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BU of 7cp5 by Molmil
Bovine heart cytochrome c oxidase in a catalytic intermediate of E at 1.76 angstrom resolution
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Tsukihara, T, Shimada, A.
Deposit date:2020-08-06
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Critical roles of the Cu B site in efficient proton pumping as revealed by crystal structures of mammalian cytochrome c oxidase catalytic intermediates.
J.Biol.Chem., 297, 2021
7D5W
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BU of 7d5w by Molmil
Bovine heart cytochrome c oxidase in a catalytic intermediate of O at 1.84 angstrom resolution
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Tsukihara, T, Shimada, A.
Deposit date:2020-09-28
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Critical roles of the Cu B site in efficient proton pumping as revealed by crystal structures of mammalian cytochrome c oxidase catalytic intermediates.
J.Biol.Chem., 297, 2021
7D5X
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BU of 7d5x by Molmil
Bovine heart cytochrome c oxidase in a catalytic intermediate, IO10, at 1.74 angstrom resolution
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Tsukihara, T, Shimada, A.
Deposit date:2020-09-28
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Critical roles of the Cu B site in efficient proton pumping as revealed by crystal structures of mammalian cytochrome c oxidase catalytic intermediates.
J.Biol.Chem., 297, 2021
7WT1
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BU of 7wt1 by Molmil
human glyoxalase I (with C-ter His tag) in inhibitor-free form
Descriptor: Lactoylglutathione lyase, ZINC ION
Authors:Usami, M, Shibuya, A, Yokoyama, H.
Deposit date:2022-02-03
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures of human glyoxalase I and its complex with TLSC702 reveal inhibitor binding mode and substrate preference.
Febs Lett., 596, 2022
2QB4
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BU of 2qb4 by Molmil
Crystal Structure Analysis of LeuT complexed with L-leucine, sodium and desipramine
Descriptor: 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, LEUCINE, SODIUM ION, ...
Authors:Singh, S.K, Yamashita, A, Gouaux, E.
Deposit date:2007-06-15
Release date:2007-08-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Antidepressant binding site in a bacterial homologue of neurotransmitter transporters.
Nature, 448, 2007
4FA8
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BU of 4fa8 by Molmil
Multi-pronged modulation of cytokine signaling
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage colony-stimulating factor 1, Secreted protein BARF1, ...
Authors:He, X, Shim, A.H.
Deposit date:2012-05-21
Release date:2012-08-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Multipronged attenuation of macrophage-colony stimulating factor signaling by Epstein-Barr virus BARF1.
Proc.Natl.Acad.Sci.USA, 109, 2012
2Q72
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BU of 2q72 by Molmil
Crystal Structure Analysis of LeuT complexed with L-leucine, sodium, and imipramine
Descriptor: 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, LEUCINE, SODIUM ION, ...
Authors:Singh, S.K, Yamashita, A, Gouaux, E.
Deposit date:2007-06-05
Release date:2007-08-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Antidepressant binding site in a bacterial homologue of neurotransmitter transporters.
Nature, 448, 2007
7KJZ
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BU of 7kjz by Molmil
crystal structure of PLEKHA7 PH domain biding inositol-tetraphosphate
Descriptor: 1,2-ETHANEDIOL, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Pleckstrin homology domain-containing family A member 7
Authors:Marassi, F.M, Aleshin, A.E, Liddington, R.C.
Deposit date:2020-10-26
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural basis for the association of PLEKHA7 with membrane-embedded phosphatidylinositol lipids.
Structure, 29, 2021
7KJO
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BU of 7kjo by Molmil
crystal structure of PLEKHA7 PH domain biding SO4
Descriptor: GLYCEROL, Pleckstrin homology domain-containing family A member 7, SULFATE ION
Authors:Marassi, F.M, Aleshin, A.E, Liddington, R.C.
Deposit date:2020-10-26
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural basis for the association of PLEKHA7 with membrane-embedded phosphatidylinositol lipids.
Structure, 29, 2021
7KK7
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BU of 7kk7 by Molmil
crystal structure of ligand-free PLEKHA7 PH domain
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Pleckstrin homology domain-containing family A member 7
Authors:Marassi, F.M, Aleshin, A.E, Liddington, R.C.
Deposit date:2020-10-27
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for the association of PLEKHA7 with membrane-embedded phosphatidylinositol lipids.
Structure, 29, 2021
2QEI
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BU of 2qei by Molmil
Crystal structure analysis of LeuT complexed with L-alanine, sodium, and clomipramine
Descriptor: 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, ALANINE, SODIUM ION, ...
Authors:Singh, S.K, Yamashita, A, Gouaux, E.
Deposit date:2007-06-25
Release date:2007-08-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Antidepressant binding site in a bacterial homologue of neurotransmitter transporters.
Nature, 448, 2007
6JO3
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BU of 6jo3 by Molmil
Crystal structure of (S)-3-O-geranylgeranylglyceryl phosphate synthase from Thermoplasma acidophilum in complex with substrate sn-glycerol-1-phosphate
Descriptor: Geranylgeranylglyceryl phosphate synthase, SN-GLYCEROL-1-PHOSPHATE
Authors:Nemoto, N, Miyazono, K, Tanokura, M, Yamagishi, A.
Deposit date:2019-03-20
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of (S)-3-O-geranylgeranylglyceryl phosphate synthase from Thermoplasma acidophilum in complex with the substrate sn-glycerol 1-phosphate.
Acta Crystallogr.,Sect.F, 75, 2019
1SF8
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BU of 1sf8 by Molmil
Crystal structure of the carboxy-terminal domain of htpG, the E. coli Hsp90
Descriptor: CHLORIDE ION, Chaperone protein htpG, NICKEL (II) ION
Authors:Harris, S.F, Shiau, A.K, Agard, D.A.
Deposit date:2004-02-19
Release date:2004-06-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The crystal structure of the carboxy-terminal dimerization domain of htpG, the Escherichia coli Hsp90, reveals a potential substrate binding site.
Structure, 12, 2004
5YCG
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BU of 5ycg by Molmil
Ancestral myoglobin aMbWp of Pakicetus relative
Descriptor: Ancestral myoglobin aMbWp of Pakicetus relative, PROTOPORPHYRIN IX CONTAINING FE
Authors:Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T.
Deposit date:2017-09-07
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Tracing whale myoglobin evolution by resurrecting ancient proteins.
Sci Rep, 8, 2018
7CD7
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BU of 7cd7 by Molmil
GFP-40/GFPuv complex, Form I
Descriptor: GFP-40, Green fluorescent protein
Authors:Yasui, N, Yamashita, A.
Deposit date:2020-06-18
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.704 Å)
Cite:A sweet protein monellin as a non-antibody scaffold for synthetic binding proteins.
J.Biochem., 169, 2021
5YCE
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BU of 5yce by Molmil
Sperm whale myoglobin swMb
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T.
Deposit date:2017-09-07
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.77 Å)
Cite:Tracing whale myoglobin evolution by resurrecting ancient proteins.
Sci Rep, 8, 2018
7CD8
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BU of 7cd8 by Molmil
GFP-40/GFPuv complex, Form II
Descriptor: GFP-40, Green fluorescent protein
Authors:Yasui, N, Yamashita, A.
Deposit date:2020-06-18
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:A sweet protein monellin as a non-antibody scaffold for synthetic binding proteins.
J.Biochem., 169, 2021
2QYH
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BU of 2qyh by Molmil
Crystal structure of the hypothetical protein (gk1056) from geobacillus kaustophilus HTA426
Descriptor: GLYCEROL, Hypothetical conserved protein, GK1056
Authors:Jeyakanthan, J, Kanaujia, S.P, Sekar, K, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-08-15
Release date:2008-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the hypothetical protein (gk1056) from geobacillus kaustophilus HTA426
To be Published
6KNF
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BU of 6knf by Molmil
CryoEM map and model of Nitrite Reductase at pH 6.2
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase
Authors:Adachi, N, Yamaguchi, T, Moriya, T, Kawasaki, M, Koiwai, K, Shinoda, A, Yamada, Y, Yumoto, F, Kohzuma, T, Senda, T.
Deposit date:2019-08-05
Release date:2020-08-12
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:2.85 and 2.99 angstrom resolution structures of 110 kDa nitrite reductase determined by 200 kV cryogenic electron microscopy.
J.Struct.Biol., 213, 2021
4G1R
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BU of 4g1r by Molmil
Crystal structure of anti-HIV actinohivin in complex with alphs-1,2-mannobiose (Form II)
Descriptor: Actinohivin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose
Authors:Hoque, M.M, Suzuki, K, Tsunoda, M, Jiang, J, Zhang, F, Takahashi, A, Naomi, O, Zhang, X, Sekiguchi, T, Tanaka, H, Omura, S, Takenaka, A.
Deposit date:2012-07-11
Release date:2013-07-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Matured structure of anti-HIV lectin actinohivin in complex with alpha-1,2-mannobiose
To be Published
6KNG
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BU of 6kng by Molmil
CryoEM map and model of Nitrite Reductase at pH 8.1
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase
Authors:Adachi, N, Yamaguchi, T, Moriya, T, Kawasaki, M, Koiwai, K, Shinoda, A, Yamada, Y, Yumoto, F, Kohzuma, T, Senda, T.
Deposit date:2019-08-05
Release date:2020-08-12
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:2.85 and 2.99 angstrom resolution structures of 110 kDa nitrite reductase determined by 200 kV cryogenic electron microscopy.
J.Struct.Biol., 213, 2021

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数据于2024-06-26公开中

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