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5IR6
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BU of 5ir6 by Molmil
The structure of bd oxidase from Geobacillus thermodenitrificans
Descriptor: Bd-type quinol oxidase subunit I, Bd-type quinol oxidase subunit II, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ...
Authors:Safarian, S, Mueller, H, Rajendran, C, Preu, J, Ovchinnikov, S, Kusumoto, T, Hirose, T, Langer, J, Sakamoto, J, Michel, H.
Deposit date:2016-03-12
Release date:2016-05-04
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structure of a bd oxidase indicates similar mechanisms for membrane-integrated oxygen reductases.
Science, 352, 2016
5DOQ
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BU of 5doq by Molmil
The structure of bd oxidase from Geobacillus thermodenitrificans
Descriptor: Bd-type quinol oxidase subunit I, Bd-type quinol oxidase subunit II, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ...
Authors:Safarian, S, Mueller, H, Rajendran, C, Preu, J, Ovchinnikov, S, Kusumoto, T, Hirose, T, Langer, J, Sakamoto, J, Michel, H.
Deposit date:2015-09-11
Release date:2016-05-04
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structure of a bd oxidase indicates similar mechanisms for membrane-integrated oxygen reductases.
Science, 352, 2016
5XOF
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BU of 5xof by Molmil
Crystal structure of human paired immunoglobulin-like type 2 receptor alpha with synthesized glycopeptide I
Descriptor: N-acetyl-alpha-neuraminic acid-(2-6)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Paired immunoglobulin-like type 2 receptor alpha, Peptide from Nitric oxide synthase, ...
Authors:Furukawa, A, Kakita, K, Yamada, T, Ishizuka, M, Sakamoto, J, Hatori, N, Maeda, N, Ohsaka, F, Saitoh, T, Nomura, T, Kuroki, K, Nambu, H, Arase, H, Matsunaga, H, Anada, M, Ose, T, Hashimoto, S, Maenaka, K.
Deposit date:2017-05-28
Release date:2017-10-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.963 Å)
Cite:Structural and thermodynamic analyses reveal critical features of glycopeptide recognition by the human PILR alpha immune cell receptor.
J. Biol. Chem., 292, 2017
5XO2
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BU of 5xo2 by Molmil
Crystal structure of human paired immunoglobulin-like type 2 receptor alpha with synthesized glycopeptide II
Descriptor: N-acetyl-alpha-neuraminic acid-(2-6)-2-acetamido-2,4-dideoxy-alpha-D-xylo-hexopyranose, Paired immunoglobulin-like type 2 receptor alpha, Peptide from Envelope glycoprotein B
Authors:Furukawa, A, Kakita, K, Yamada, T, Ishizuka, M, Sakamoto, J, Hatori, N, Maeda, N, Ohsaka, F, Saitoh, T, Nomura, T, Kuroki, K, Nambu, H, Arase, H, Matsunaga, S, Anada, M, Ose, T, Hashimoto, S, Maenaka, K.
Deposit date:2017-05-25
Release date:2017-10-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Structural and thermodynamic analyses reveal critical features of glycopeptide recognition by the human PILR alpha immune cell receptor.
J. Biol. Chem., 292, 2017
6RKO
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BU of 6rko by Molmil
Cryo-EM structure of the E. coli cytochrome bd-I oxidase at 2.68 A resolution
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome bd-I ubiquinol oxidase subunit 1, ...
Authors:Safarian, S, Hahn, A, Kuehlbrandt, W, Michel, H.
Deposit date:2019-04-30
Release date:2019-10-16
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:Active site rearrangement and structural divergence in prokaryotic respiratory oxidases.
Science, 366, 2019
5X4N
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BU of 5x4n by Molmil
Crystal structure of the BCL6 BTB domain in complex with Compound 4
Descriptor: 1,2-ETHANEDIOL, 5-chloro-N4-phenylpyrimidine-2,4-diamine, B-cell lymphoma 6 protein
Authors:Sogabe, S, Ida, K, Lane, W, Snell, G.
Deposit date:2017-02-13
Release date:2017-05-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
5X4O
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BU of 5x4o by Molmil
Crystal structure of the BCL6 BTB domain in complex with Compound 5
Descriptor: B-cell lymphoma 6 protein, N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide
Authors:Sogabe, S, Ida, K, Lane, W, Snell, G.
Deposit date:2017-02-13
Release date:2017-05-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
5X4M
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BU of 5x4m by Molmil
Crystal structure of the BCL6 BTB domain in complex with Compound 1
Descriptor: B-cell lymphoma 6 protein, N-phenyl-1,3,5-triazine-2,4-diamine
Authors:Sogabe, S, Ida, K, Lane, W, Snell, G.
Deposit date:2017-02-13
Release date:2017-05-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
5X4Q
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BU of 5x4q by Molmil
Crystal structure of the BCL6 BTB domain in complex with Compound 7
Descriptor: 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein, ...
Authors:Sogabe, S, Ida, K, Lane, W, Snell, G.
Deposit date:2017-02-13
Release date:2017-05-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
5X4P
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BU of 5x4p by Molmil
Crystal structure of the BCL6 BTB domain in complex with Compound 6
Descriptor: 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein
Authors:Sogabe, S, Ida, K, Lane, W, Snell, G.
Deposit date:2017-02-13
Release date:2017-05-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
5X54
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BU of 5x54 by Molmil
Crystal structure of the Keap1 Kelch domain in complex with a tetrapeptide
Descriptor: ACE-GLU-TRP-TRP-TRP, ACETATE ION, Kelch-like ECH-associated protein 1
Authors:Sogabe, S, Kadotani, A, Lane, W, Snell, G.
Deposit date:2017-02-14
Release date:2017-03-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a Kelch-like ECH-associated protein 1-inhibitory tetrapeptide and its structural characterization
Biochem. Biophys. Res. Commun., 486, 2017
5XCO
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BU of 5xco by Molmil
Crystal structure of human K-Ras G12D Mutant in complex with GDP and Cyclic Inhibitory Peptide
Descriptor: 1,2-ETHANEDIOL, ACE-ARG-ARG-ARG-ARG-CYS-PRO-LEU-TYR-ILE-SER-TYR-ASP-PRO-VAL-CYS-ARG-ARG-ARG-ARG-NH2, GTPase KRas, ...
Authors:Sogabe, S, Miwa, M.
Deposit date:2017-03-23
Release date:2017-05-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal Structure of a Human K-Ras G12D Mutant in Complex with GDP and the Cyclic Inhibitory Peptide KRpep-2d
ACS Med Chem Lett, 8, 2017
8B4O
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BU of 8b4o by Molmil
Cryo-EM structure of cytochrome bd oxidase from C. glutamicum
Descriptor: CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome BD ubiquinol oxidase subunit I, Cytochrome bd-type quinol oxidase subunit II, ...
Authors:Grund, T.N, Kusumoto, T, Michel, H, Sakamoto, J, Safarian, S.
Deposit date:2022-09-20
Release date:2022-12-28
Method:ELECTRON MICROSCOPY (2 Å)
Cite:Cryo-EM structure of cytochrome bd oxidase from C. glutamicum
To be published
3TDC
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BU of 3tdc by Molmil
Crystal Structure of Human Acetyl-CoA carboxylase 2
Descriptor: 1-[3-({4-[(5S)-3,3-dimethyl-1-oxo-2-oxa-7-azaspiro[4.5]dec-7-yl]piperidin-1-yl}carbonyl)-1-benzothiophen-2-yl]-3-ethylurea, Acetyl-CoA carboxylase 2 variant
Authors:Dougan, D.R, Mol, C.D.
Deposit date:2011-08-10
Release date:2011-10-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Design, synthesis, and structure-activity relationships of spirolactones bearing 2-ureidobenzothiophene as acetyl-CoA carboxylases inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011

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