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PDB: 28 results

8AMZ
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Spinach 19S proteasome
Descriptor: 26S proteasome non-ATPase regulatory subunit 1 homolog, 26S proteasome non-ATPase regulatory subunit 2 homolog, 26S proteasome regulatory subunit 7, ...
Authors:Kandolf, S, Grishkovskaya, I, Meinhart, A, Haselbach, D.
Deposit date:2022-08-04
Release date:2022-08-24
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of the plant 26S proteasome
Plant Communications, 3, 2022
7QVE
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Spinach 20S proteasome
Descriptor: Proteasome subunit alpha type, Proteasome subunit alpha type-3, Proteasome subunit beta, ...
Authors:Kandolf, S, Grishkovskaya, I, Meinhart, A, Haselbach, D.
Deposit date:2022-01-21
Release date:2022-05-25
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of the plant 26S proteasome.
Plant Commun., 3, 2022
1UMK
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The Structure of Human Erythrocyte NADH-cytochrome b5 Reductase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADH-cytochrome b5 reductase
Authors:Bando, S, Takano, T, Yubisui, T, Shirabe, K, Takeshita, M, Horii, C, Nakagawa, A.
Deposit date:2003-10-03
Release date:2004-11-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of human erythrocyte NADH-cytochrome b5 reductase.
Acta Crystallogr.,Sect.D, 60, 2004
6JT4
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Crystal Structure of BACE1 in complex with N-{3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide
Descriptor: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
Authors:Anan, K, Iso, Y, Oguma, T, Nakahara, K, Suzuki, S, Yamamoto, T, Matsuoka, E, Ito, H, Sakaguchi, G, Ando, S, Morimoto, K, Kanegawa, N, Kido, Y, Kawachi, T, Fukushima, T, Teisman, A, Urmaliya, V, Dhuyvetter, D, Borghys, H, Austin, N, Bergh, A.V.D, Verboven, P, Bischoff, F, Gijsen, H.J.M, Yamano, Y, Kusakabe, K.I.
Deposit date:2019-04-08
Release date:2020-01-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Trifluoromethyl Dihydrothiazine-Based beta-Secretase (BACE1) Inhibitors with Robust Central beta-Amyloid Reduction and Minimal Covalent Binding Burden.
Chemmedchem, 14, 2019
6JT3
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Crystal Structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Tadano, G, Komano, K, Yoshida, S, Suzuki, S, Nakahara, K, Fuchino, K, Fujimoto, K, Matsuoka, E, Yamamoto, T, Asada, N, Ito, H, Sakaguchi, G, Kanegawa, N, Kido, Y, Ando, S, Fukushima, T, Teisman, A, Urmaliya, V, Dhuyvetter, D, Borghys, H, Bergh, A.V.D, Austin, N, Gijsen, H.J.M, Yamano, Y, Iso, Y, Kusakabe, K.I.
Deposit date:2019-04-08
Release date:2019-10-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of an Extremely Potent Thiazine-Based beta-Secretase Inhibitor with Reduced Cardiovascular and Liver Toxicity at a Low Projected Human Dose.
J.Med.Chem., 62, 2019
5YGX
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Structure of BACE1 in complex with N-(3-((4R,5R,6S)-2-amino-6-(1,1-difluoroethyl)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Nakahara, K, Fuchino, K, Komano, K, Asada, N, Tadano, G, Hasegawa, T, Yamamoto, T, Sako, Y, Ogawa, M, Unemura, C, Hosono, M, Sakaguchi, G, Ando, S, Ohnishi, S, Kido, Y, Fukushima, T, Dhuyvetter, D, Borghys, H, Gijsen, H, Yamano, Y, Iso, Y, Kusakabe, K.
Deposit date:2017-09-27
Release date:2018-08-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Potent and Centrally Active 6-Substituted 5-Fluoro-1,3-dihydro-oxazine beta-Secretase (BACE1) Inhibitors via Active Conformation Stabilization
J. Med. Chem., 61, 2018
5YGY
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Crystal Structure of BACE1 in complex with (S)-N-(3-(2-amino-6-(fluoromethyl)-4 -methyl-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-cyanopicolinamide
Descriptor: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
Authors:Fuchino, K, Mitsuoka, Y, Masui, M, Kurose, N, Yoshida, S, Komano, K, Yamamoto, T, Ogawa, M, Unemura, C, Hosono, M, Ito, H, Sakaguchi, G, Ando, S, Ohnishi, S, Kido, Y, Fukushima, T, Miyajima, H, Hiroyama, S, Koyabu, K, Dhuyvetter, D, Borghys, H, Gijsen, H, Yamano, Y, Iso, Y, Kusakabe, K.
Deposit date:2017-09-27
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rational Design of Novel 1,3-Oxazine Based beta-Secretase (BACE1) Inhibitors: Incorporation of a Double Bond To Reduce P-gp Efflux Leading to Robust A beta Reduction in the Brain
J. Med. Chem., 61, 2018
7D5U
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BACE2 xaperone complex with N-{3-[(9S)-7-amino-2,2-difluoro-9-(prop-1-yn-1-yl)-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
Descriptor: Beta-secretase 2, N-[3-[(9S)-7-azanyl-2,2-bis(fluoranyl)-9-prop-1-ynyl-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide, xaperone
Authors:Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I.
Deposit date:2020-09-28
Release date:2021-03-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
7D2V
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Crystal Structure of BACE1 in complex with N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-5,6-dihydro-2H-1lambda6,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
Descriptor: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
Authors:Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I.
Deposit date:2020-09-17
Release date:2021-03-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
7D5B
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BACE2 xaperone complex with N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-5,6-dihydro-2H-1lambda6,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
Descriptor: 1,2-ETHANEDIOL, Beta-secretase 2, CHLORIDE ION, ...
Authors:Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I.
Deposit date:2020-09-25
Release date:2021-03-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
7D5A
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Crystal Structure of BACE1 in complex with N-{3-[(9S)-7-amino-2,2-difluoro-9-(prop-1-yn-1-yl)-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
Descriptor: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
Authors:Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I.
Deposit date:2020-09-25
Release date:2021-03-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
7D2X
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Crystal Structure of BACE1 in complex with N-{3-[(4R)-2-amino-4-(prop-1-yn-1-yl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
Descriptor: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
Authors:Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I.
Deposit date:2020-09-17
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
3WYY
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CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH (E)-3-(4-((6-(((3s,5s,7s)-adamantan-1-yl)amino)-4-amino-5-cyanopyridin-2-yl)amino)-2-(cyanomethoxy)phenyl)-N-(2-methoxyethyl)acrylamide
Descriptor: (2E)-3-[4-({4-amino-5-cyano-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]pyridin-2-yl}amino)-2-(cyanomethoxy)phenyl]-N-(2-methoxyethyl)prop-2-enamide, Dual specificity protein kinase TTK
Authors:Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Murai, H, Nakamura, Y.
Deposit date:2014-09-10
Release date:2015-04-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity.
Bioorg.Med.Chem., 23, 2015
3WZJ
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CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide
Descriptor: 4-{6-(cyclohexylamino)-8-[(tetrahydro-2H-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-N-cyclopropylbenzamide, Dual specificity protein kinase TTK
Authors:Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y.
Deposit date:2014-09-29
Release date:2015-02-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity.
J.Med.Chem., 58, 2015
3WYX
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CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 6-((3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-2-(cyclohexylamino)nicotinonitrile
Descriptor: 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, Dual specificity protein kinase TTK, IODIDE ION
Authors:Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y.
Deposit date:2014-09-09
Release date:2015-04-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity.
Bioorg.Med.Chem., 23, 2015
3WZK
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CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH N-cyclopropyl-4-(8-((thiophen-2-ylmethyl)amino)imidazo[1,2-a]pyrazin-3-yl)benzamide
Descriptor: CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide
Authors:Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y.
Deposit date:2014-09-29
Release date:2015-02-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity.
J.Med.Chem., 58, 2015
8J81
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MDM2 bound with a peptoid
Descriptor: (2S)-2-[[(2S)-2-[(6-chloranyl-1H-indol-3-yl)methyl-[(2S)-2-[[(2S)-2-[ethanoyl-(phenylmethyl)amino]propanoyl]-methyl-amino]propanoyl]amino]propanoyl]-methyl-amino]-N-(3,3-dimethylbutyl)-N-[(2S)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]propanamide, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2
Authors:Yokomine, M, Fukuda, Y, Ago, H, Matsuura, H, Ueno, G, Nagatoishi, S, Yamamoto, M, Tsumoto, K, Jumpei, M, Sando, S.
Deposit date:2023-04-28
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A structural and physicochemical study of how a peptoid binds to a protein
To Be Published
7OYA
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BU of 7oya by Molmil
Cryo-EM structure of the 1 hpf zebrafish embryo 80S ribosome
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ...
Authors:Leesch, F, Lorenzo-Orts, L, Grishkovskaya, I, Kandolf, S, Belacic, K, Meinhart, A, Haselbach, D, Pauli, A.
Deposit date:2021-06-24
Release date:2022-07-13
Last modified:2023-02-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A molecular network of conserved factors keeps ribosomes dormant in the egg.
Nature, 613, 2023
7OYB
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BU of 7oyb by Molmil
Cryo-EM structure of the 6 hpf zebrafish embryo 80S ribosome
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ...
Authors:Leesch, F, Lorenzo-Orts, L, Grishkovskaya, I, Kandolf, S, Belacic, K, Meinhart, A, Haselbach, D, Pauli, A.
Deposit date:2021-06-24
Release date:2022-07-13
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:A molecular network of conserved factors keeps ribosomes dormant in the egg.
Nature, 613, 2023
7OYC
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BU of 7oyc by Molmil
Cryo-EM structure of the Xenopus egg 80S ribosome
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Leesch, F, Lorenzo-Orts, L, Grishkovskaya, I, Kandolf, S, Belacic, K, Meinhart, A, Haselbach, D, Pauli, A.
Deposit date:2021-06-24
Release date:2022-07-20
Last modified:2023-02-08
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:A molecular network of conserved factors keeps ribosomes dormant in the egg.
Nature, 613, 2023
7OYD
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BU of 7oyd by Molmil
Cryo-EM structure of a rabbit 80S ribosome with zebrafish Dap1b
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ...
Authors:Leesch, F, Lorenzo-Orts, L, Grishkovskaya, I, Kandolf, S, Belacic, K, Meinhart, A, Haselbach, D, Pauli, A.
Deposit date:2021-06-24
Release date:2022-07-20
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:A molecular network of conserved factors keeps ribosomes dormant in the egg.
Nature, 613, 2023
1MI8
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2.0 Angstrom crystal structure of a DnaB intein from Synechocystis sp. PCC 6803
Descriptor: DnaB intein
Authors:Ding, Y, Chen, X, Ferrandon, S, Xu, M, Rao, Z.
Deposit date:2002-08-22
Release date:2003-08-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of mini-intein reveals a conserved catalytic module involved in side chain cyclization of asparagine during protein splicing
J.Biol.Chem., 278, 2003
6M5O
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BU of 6m5o by Molmil
Co-crystal structure of human serine hydroxymethyltransferase 2 in complex with Pyridoxal 5'-phosphate (PLP) and glycodeoxycholic acid
Descriptor: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, GLYCINE, Serine hydroxymethyltransferase, ...
Authors:Ota, T, Senoo, A, Ito, S, Ueno, G, Nagatoishi, S, Tsumoto, K, Sando, S.
Deposit date:2020-03-11
Release date:2021-01-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.30000663 Å)
Cite:Structural basis for selective inhibition of human serine hydroxymethyltransferase by secondary bile acid conjugate.
Iscience, 24, 2021
2KCN
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Solution structure of the antifungal protein PAF from Penicillium chrysogenum
Descriptor: Antifungal protein
Authors:Batta, G, Barna, T, Gaspari, Z, Sandor, S, Kover, K.E, Binder, U, Sarg, B, Kaiserer, L, Chhillar, A.K, Eigentler, A, Leiter, E, Hegedus, N, Pocsi, I, Lindner, H, Marx, F.
Deposit date:2008-12-23
Release date:2009-07-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Functional aspects of the solution structure and dynamics of PAF--a highly-stable antifungal protein from Penicillium chrysogenum
Febs J., 276, 2009
1ZDE
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1.95 Angstrom Crystal Structure of a dnaE Intein Precursor from Synechocystis Sp. Pcc 6803
Descriptor: CALCIUM ION, DNA polymerase III alpha subunit, ZINC ION
Authors:Sun, P, Ye, S, Ferrandon, S, Evans, T.C, Xu, M.Q, Rao, Z.
Deposit date:2005-04-14
Release date:2006-01-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structures of an intein from the split dnaE gene of Synechocystis sp. PCC6803 reveal the catalytic model without the penultimate histidine and the mechanism of zinc ion inhibition of protein splicing
J.Mol.Biol., 353, 2005

 

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