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7DDR
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BU of 7ddr by Molmil
Ancestral myoglobin aMbSp of Puijila Darwini relative (imidazol ligand)
分子名称: Ancestral myoglobin aMbSp, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE
著者Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Shirai, T.
登録日2020-10-29
公開日2021-09-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Common and unique strategies of myoglobin evolution for deep-sea adaptation of diving mammals.
Iscience, 24, 2021
7DDT
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BU of 7ddt by Molmil
Ancestral myoglobin aMbSe of Enaliarctos relative (imidazol ligand)
分子名称: Ancestral myoglobin aMbSe, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Shirai, T.
登録日2020-10-29
公開日2021-09-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Common and unique strategies of myoglobin evolution for deep-sea adaptation of diving mammals.
Iscience, 24, 2021
7DDS
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BU of 7dds by Molmil
Ancestral myoglobin aMbSp of Puijila Darwini relative
分子名称: Ancestral myoglobin aMbSp, PROTOPORPHYRIN IX CONTAINING FE
著者Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Shirai, T.
登録日2020-10-29
公開日2021-09-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Common and unique strategies of myoglobin evolution for deep-sea adaptation of diving mammals.
Iscience, 24, 2021
7DDU
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BU of 7ddu by Molmil
Elephant seal myoglobin esMb
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Shirai, T.
登録日2020-10-29
公開日2021-09-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Common and unique strategies of myoglobin evolution for deep-sea adaptation of diving mammals.
Iscience, 24, 2021
4Y7E
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BU of 4y7e by Molmil
Crystal structure of beta-mannanase from Streptomyces thermolilacinus with mannohexaose
分子名称: CALCIUM ION, Endoglucanase, GLYCEROL, ...
著者Kumagai, Y, Yamashita, K, Okuyama, M, Hatanaka, T, Yao, M, Kimura, A.
登録日2015-02-14
公開日2015-09-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The loop structure of Actinomycete glycoside hydrolase family 5 mannanases governs substrate recognition
Febs J., 282, 2015
2CW1
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BU of 2cw1 by Molmil
Solution structure of the de novo-designed lambda Cro fold protein
分子名称: SN4m
著者Isogai, Y, Ito, Y, Ikeya, T, Shiro, Y, Ota, M.
登録日2005-06-15
公開日2005-12-13
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Design of lambda Cro fold: solution structure of a monomeric variant of the de novo protein.
J.Mol.Biol., 354, 2005
3WSU
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BU of 3wsu by Molmil
Crystal structure of beta-mannanase from Streptomyces thermolilacinus
分子名称: Beta-mannanase, GLYCEROL, SODIUM ION
著者Kumagai, Y, Yamashita, K, Okuyama, M, Hatanaka, T, Yao, M, Kimura, A.
登録日2014-03-26
公開日2015-05-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The loop structure of Actinomycete glycoside hydrolase family 5 mannanases governs substrate recognition
Febs J., 282, 2015
5YCH
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BU of 5ych by Molmil
Ancestral myoglobin aMbWb of Basilosaurus relative (monophyly)
分子名称: Ancestral myoglobin aMbWb of Basilosaurus relative (monophyly), PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T.
登録日2017-09-07
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.354 Å)
主引用文献Tracing whale myoglobin evolution by resurrecting ancient proteins.
Sci Rep, 8, 2018
5YCG
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BU of 5ycg by Molmil
Ancestral myoglobin aMbWp of Pakicetus relative
分子名称: Ancestral myoglobin aMbWp of Pakicetus relative, PROTOPORPHYRIN IX CONTAINING FE
著者Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T.
登録日2017-09-07
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Tracing whale myoglobin evolution by resurrecting ancient proteins.
Sci Rep, 8, 2018
5YCI
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BU of 5yci by Molmil
Ancestral myoglobin aMbWb' of Basilosaurus relative (polyphyly)
分子名称: Ancestral myoglobin aMbWb' of Basilosaurus relative (polyphyly), PROTOPORPHYRIN IX CONTAINING FE
著者Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T.
登録日2017-09-07
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Tracing whale myoglobin evolution by resurrecting ancient proteins.
Sci Rep, 8, 2018
5YCE
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BU of 5yce by Molmil
Sperm whale myoglobin swMb
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T.
登録日2017-09-07
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.77 Å)
主引用文献Tracing whale myoglobin evolution by resurrecting ancient proteins.
Sci Rep, 8, 2018
5YCJ
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BU of 5ycj by Molmil
Ancestral myoglobin aMbWb' of Basilosaurus relative (polyphyly) imidazole-ligand
分子名称: Ancestral myoglobin aMbWb' of Basilosaurus relative (polyphyly), IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE
著者Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T.
登録日2017-09-07
公開日2018-09-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Tracing whale myoglobin evolution by resurrecting ancient proteins.
Sci Rep, 8, 2018
3NI2
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BU of 3ni2 by Molmil
Crystal structures and enzymatic mechanisms of a Populus tomentosa 4-coumarate:CoA ligase
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-coumarate:CoA ligase, 5'-O-{(S)-hydroxy[3-(4-hydroxyphenyl)propoxy]phosphoryl}adenosine
著者Hu, Y, Yin, L, Gai, Y, Wang, X.X, Wang, D.C.
登録日2010-06-14
公開日2010-09-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of a Populus tomentosa 4-coumarate:CoA ligase shed light on its enzymatic mechanisms
Plant Cell, 22, 2010
8WTQ
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BU of 8wtq by Molmil
HUMAN SQUALENE SYNTHASE IN COMPLEX WITH {1-[2-Chloro-5-(2,2-dimethyl-propyl)-13-(2-methoxy-phenyl)-6-oxo-6,7,10,11-tetrahydro-5H,9H,13H-12-oxa-5,8-diaza-benzocycloundecene-8-carbonyl]-piperidin-4-yl}-acetic acid
分子名称: 2-[1-[[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3-oxidanylidene-9-oxa-2,5-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-5-yl]carbonyl]piperidin-4-yl]ethanoic acid, PHOSPHATE ION, Squalene synthase
著者Suzuki, M, Haginoya, N, Suzuki, M, Ishigai, Y, Terayama, K, Kanda, A, Sugita, K.
登録日2023-10-19
公開日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Novel 11-Membered Templates as Squalene Synthase Inhibitors.
J.Med.Chem., 67, 2024
8WTR
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BU of 8wtr by Molmil
HUMAN SQUALENE SYNTHASE IN COMPLEX WITH (1S,3R)-3-[2-Chloro-5-(2,2-dimethyl-propyl)-13-(2-methoxy-phenyl)-6,8-dioxo-5,6,7,8,10,11-hexahydro-13H-12-oxa-5,9-diaza-benzocycloundecen-9-yl]-cyclohexanecarboxylic acid
分子名称: (1~{S},3~{R})-3-[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3,5-bis(oxidanylidene)-9-oxa-2,6-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-6-yl]cyclohexane-1-carboxylic acid, PHOSPHATE ION, Squalene synthase
著者Suzuki, M, Haginoya, N, Suzuki, M, Ishigai, Y, Terayama, K, Kanda, A, Sugita, K.
登録日2023-10-19
公開日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Novel 11-Membered Templates as Squalene Synthase Inhibitors.
J.Med.Chem., 67, 2024
5XNZ
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BU of 5xnz by Molmil
Crystal structure of CreD complex with fumarate
分子名称: CreD, FUMARIC ACID
著者Katsuyama, Y, Sato, Y, Sugai, Y, Higashiyama, Y, Senda, M, Senda, T, Ohnishi, Y.
登録日2017-05-25
公開日2018-03-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the nitrosuccinate lyase CreD in complex with fumarate provides insights into the catalytic mechanism for nitrous acid elimination
FEBS J., 285, 2018
5XNY
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BU of 5xny by Molmil
Crystal structure of CreD
分子名称: CreD
著者Katsuyama, Y, Sato, Y, Sugai, Y, Higashiyama, Y, Senda, M, Senda, T, Ohnishi, Y.
登録日2017-05-25
公開日2018-03-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal structure of the nitrosuccinate lyase CreD in complex with fumarate provides insights into the catalytic mechanism for nitrous acid elimination
FEBS J., 285, 2018
7N28
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BU of 7n28 by Molmil
Cryo-EM structure of broadly neutralizing V2-apex-targeting antibody J033 in complex with HIV-1 Env
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3BNC117 antibody heavy chain, ...
著者Zhou, T, Gao, F.
登録日2021-05-28
公開日2022-04-06
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Development of Neutralization Breadth against Diverse HIV-1 by Increasing Ab-Ag Interface on V2.
Adv Sci, 9, 2022
7MXD
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BU of 7mxd by Molmil
Cryo-EM structure of broadly neutralizing V2-apex-targeting antibody J038 in complex with HIV-1 Env
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3BNC117 antibody heavy chain, ...
著者Zhou, T, Gao, F.
登録日2021-05-19
公開日2022-03-30
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Development of Neutralization Breadth against Diverse HIV-1 by Increasing Ab-Ag Interface on V2.
Adv Sci, 9, 2022
3A9U
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BU of 3a9u by Molmil
Crystal structures and enzymatic mechanisms of a Populus tomentosa 4-coumarate--CoA ligase
分子名称: 4-coumarate--CoA ligase
著者Hu, Y.
登録日2009-11-06
公開日2010-09-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of a Populus tomentosa 4-coumarate:CoA ligase shed light on its enzymatic mechanisms
Plant Cell, 22, 2010
3A9V
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BU of 3a9v by Molmil
Crystal structures and enzymatic mechanisms of a Populus tomentosa 4-coumarate--CoA ligase
分子名称: 4-coumarate--CoA ligase, ADENOSINE MONOPHOSPHATE
著者Hu, Y.
登録日2009-11-06
公開日2010-09-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of a Populus tomentosa 4-coumarate:CoA ligase shed light on its enzymatic mechanisms
Plant Cell, 22, 2010
3VYF
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BU of 3vyf by Molmil
Human renin in complex with inhibitor 9
分子名称: (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(2,6-dimethylheptan-4-yl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Takahashi, M, Hanzawa, H.
登録日2012-09-24
公開日2012-12-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
3VYE
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BU of 3vye by Molmil
Human renin in complex with inhibitor 7
分子名称: (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(3-methylbutyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Takahashi, M, Matsui, Y, Hanzawa, H.
登録日2012-09-24
公開日2012-12-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
3VSX
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BU of 3vsx by Molmil
Human renin in complex with compound 18
分子名称: (2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-(propan-2-yl)hexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Takahashi, M, Hanzawa, H.
登録日2012-05-11
公開日2012-07-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design and optimization of novel (2S,4S,5S)-5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxy-2-isopropylhexanamides as renin inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
6LUE
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BU of 6lue by Molmil
Crystal structure of mouse Cryptochrome 1 in complex with compound KL201
分子名称: 2-bromanyl-N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzamide, Cryptochrome-1
著者Miller, S, Aikawa, Y, Hirota, T.
登録日2020-01-27
公開日2020-06-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献An Isoform-Selective Modulator of Cryptochrome 1 Regulates Circadian Rhythms in Mammals.
Cell Chem Biol, 27, 2020

 

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