7DDR
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![BU of 7ddr by Molmil](/molmil-images/mine/7ddr) | Ancestral myoglobin aMbSp of Puijila Darwini relative (imidazol ligand) | Descriptor: | Ancestral myoglobin aMbSp, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Shirai, T. | Deposit date: | 2020-10-29 | Release date: | 2021-09-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Common and unique strategies of myoglobin evolution for deep-sea adaptation of diving mammals. Iscience, 24, 2021
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7DDT
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![BU of 7ddt by Molmil](/molmil-images/mine/7ddt) | Ancestral myoglobin aMbSe of Enaliarctos relative (imidazol ligand) | Descriptor: | Ancestral myoglobin aMbSe, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Shirai, T. | Deposit date: | 2020-10-29 | Release date: | 2021-09-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Common and unique strategies of myoglobin evolution for deep-sea adaptation of diving mammals. Iscience, 24, 2021
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7DDS
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![BU of 7dds by Molmil](/molmil-images/mine/7dds) | Ancestral myoglobin aMbSp of Puijila Darwini relative | Descriptor: | Ancestral myoglobin aMbSp, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Shirai, T. | Deposit date: | 2020-10-29 | Release date: | 2021-09-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Common and unique strategies of myoglobin evolution for deep-sea adaptation of diving mammals. Iscience, 24, 2021
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7DDU
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![BU of 7ddu by Molmil](/molmil-images/mine/7ddu) | Elephant seal myoglobin esMb | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Shirai, T. | Deposit date: | 2020-10-29 | Release date: | 2021-09-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Common and unique strategies of myoglobin evolution for deep-sea adaptation of diving mammals. Iscience, 24, 2021
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4Y7E
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![BU of 4y7e by Molmil](/molmil-images/mine/4y7e) | Crystal structure of beta-mannanase from Streptomyces thermolilacinus with mannohexaose | Descriptor: | CALCIUM ION, Endoglucanase, GLYCEROL, ... | Authors: | Kumagai, Y, Yamashita, K, Okuyama, M, Hatanaka, T, Yao, M, Kimura, A. | Deposit date: | 2015-02-14 | Release date: | 2015-09-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The loop structure of Actinomycete glycoside hydrolase family 5 mannanases governs substrate recognition Febs J., 282, 2015
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2CW1
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![BU of 2cw1 by Molmil](/molmil-images/mine/2cw1) | Solution structure of the de novo-designed lambda Cro fold protein | Descriptor: | SN4m | Authors: | Isogai, Y, Ito, Y, Ikeya, T, Shiro, Y, Ota, M. | Deposit date: | 2005-06-15 | Release date: | 2005-12-13 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Design of lambda Cro fold: solution structure of a monomeric variant of the de novo protein. J.Mol.Biol., 354, 2005
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3WSU
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![BU of 3wsu by Molmil](/molmil-images/mine/3wsu) | Crystal structure of beta-mannanase from Streptomyces thermolilacinus | Descriptor: | Beta-mannanase, GLYCEROL, SODIUM ION | Authors: | Kumagai, Y, Yamashita, K, Okuyama, M, Hatanaka, T, Yao, M, Kimura, A. | Deposit date: | 2014-03-26 | Release date: | 2015-05-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The loop structure of Actinomycete glycoside hydrolase family 5 mannanases governs substrate recognition Febs J., 282, 2015
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5YCH
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![BU of 5ych by Molmil](/molmil-images/mine/5ych) | Ancestral myoglobin aMbWb of Basilosaurus relative (monophyly) | Descriptor: | Ancestral myoglobin aMbWb of Basilosaurus relative (monophyly), 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 (1.354 Å) | Cite: | Tracing whale myoglobin evolution by resurrecting ancient proteins. Sci Rep, 8, 2018
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5YCG
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![BU of 5ycg by Molmil](/molmil-images/mine/5ycg) | 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
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5YCI
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![BU of 5yci by Molmil](/molmil-images/mine/5yci) | Ancestral myoglobin aMbWb' of Basilosaurus relative (polyphyly) | Descriptor: | Ancestral myoglobin aMbWb' of Basilosaurus relative (polyphyly), 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 (1.97 Å) | Cite: | Tracing whale myoglobin evolution by resurrecting ancient proteins. Sci Rep, 8, 2018
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5YCE
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![BU of 5yce by Molmil](/molmil-images/mine/5yce) | 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
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5YCJ
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![BU of 5ycj by Molmil](/molmil-images/mine/5ycj) | Ancestral myoglobin aMbWb' of Basilosaurus relative (polyphyly) imidazole-ligand | Descriptor: | Ancestral myoglobin aMbWb' of Basilosaurus relative (polyphyly), IMIDAZOLE, 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: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Tracing whale myoglobin evolution by resurrecting ancient proteins. Sci Rep, 8, 2018
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3NI2
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![BU of 3ni2 by Molmil](/molmil-images/mine/3ni2) | Crystal structures and enzymatic mechanisms of a Populus tomentosa 4-coumarate:CoA ligase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-coumarate:CoA ligase, 5'-O-{(S)-hydroxy[3-(4-hydroxyphenyl)propoxy]phosphoryl}adenosine | Authors: | Hu, Y, Yin, L, Gai, Y, Wang, X.X, Wang, D.C. | Deposit date: | 2010-06-14 | Release date: | 2010-09-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of a Populus tomentosa 4-coumarate:CoA ligase shed light on its enzymatic mechanisms Plant Cell, 22, 2010
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8WTQ
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![BU of 8wtq by Molmil](/molmil-images/mine/8wtq) | 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 | Descriptor: | 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 | Authors: | Suzuki, M, Haginoya, N, Suzuki, M, Ishigai, Y, Terayama, K, Kanda, A, Sugita, K. | Deposit date: | 2023-10-19 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Novel 11-Membered Templates as Squalene Synthase Inhibitors. J.Med.Chem., 67, 2024
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8WTR
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![BU of 8wtr by Molmil](/molmil-images/mine/8wtr) | 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 | Descriptor: | (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 | Authors: | Suzuki, M, Haginoya, N, Suzuki, M, Ishigai, Y, Terayama, K, Kanda, A, Sugita, K. | Deposit date: | 2023-10-19 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Novel 11-Membered Templates as Squalene Synthase Inhibitors. J.Med.Chem., 67, 2024
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5XNZ
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![BU of 5xnz by Molmil](/molmil-images/mine/5xnz) | Crystal structure of CreD complex with fumarate | Descriptor: | CreD, FUMARIC ACID | Authors: | Katsuyama, Y, Sato, Y, Sugai, Y, Higashiyama, Y, Senda, M, Senda, T, Ohnishi, Y. | Deposit date: | 2017-05-25 | Release date: | 2018-03-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 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
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5XNY
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![BU of 5xny by Molmil](/molmil-images/mine/5xny) | Crystal structure of CreD | Descriptor: | CreD | Authors: | Katsuyama, Y, Sato, Y, Sugai, Y, Higashiyama, Y, Senda, M, Senda, T, Ohnishi, Y. | Deposit date: | 2017-05-25 | Release date: | 2018-03-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | 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
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7N28
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![BU of 7n28 by Molmil](/molmil-images/mine/7n28) | |
7MXD
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![BU of 7mxd by Molmil](/molmil-images/mine/7mxd) | |
3A9U
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![BU of 3a9u by Molmil](/molmil-images/mine/3a9u) | |
3A9V
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![BU of 3a9v by Molmil](/molmil-images/mine/3a9v) | |
3VYF
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![BU of 3vyf by Molmil](/molmil-images/mine/3vyf) | Human renin in complex with inhibitor 9 | Descriptor: | (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 | Authors: | Takahashi, M, Hanzawa, H. | Deposit date: | 2012-09-24 | Release date: | 2012-12-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 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
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3VYE
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![BU of 3vye by Molmil](/molmil-images/mine/3vye) | Human renin in complex with inhibitor 7 | Descriptor: | (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 | Authors: | Takahashi, M, Matsui, Y, Hanzawa, H. | Deposit date: | 2012-09-24 | Release date: | 2012-12-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 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
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3VSX
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![BU of 3vsx by Molmil](/molmil-images/mine/3vsx) | Human renin in complex with compound 18 | Descriptor: | (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 | Authors: | Takahashi, M, Hanzawa, H. | Deposit date: | 2012-05-11 | Release date: | 2012-07-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 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
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6LUE
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![BU of 6lue by Molmil](/molmil-images/mine/6lue) | Crystal structure of mouse Cryptochrome 1 in complex with compound KL201 | Descriptor: | 2-bromanyl-N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzamide, Cryptochrome-1 | Authors: | Miller, S, Aikawa, Y, Hirota, T. | Deposit date: | 2020-01-27 | Release date: | 2020-06-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An Isoform-Selective Modulator of Cryptochrome 1 Regulates Circadian Rhythms in Mammals. Cell Chem Biol, 27, 2020
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