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7XAR
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BU of 7xar by Molmil
Crystal structure of 3C-like protease from SARS-CoV-2 in complex with covalent inhibitor
Descriptor: 3C-like proteinase, 4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide, CHLORIDE ION, ...
Authors:Caaveiro, J.M.M, Ochi, J, Takahashi, D, Ueda, T, Ojida, A.
Deposit date:2022-03-18
Release date:2022-11-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Chlorofluoroacetamide-Based Covalent Inhibitors for Severe Acute Respiratory Syndrome Coronavirus 2 3CL Protease.
J.Med.Chem., 65, 2022
8E32
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BU of 8e32 by Molmil
E. coli 50S ribosome bound to compound streptogramin analogs SA1 and SB1
Descriptor: (3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-yn-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione, 23S ribosomal RNA, 50S ribosomal protein L13, ...
Authors:Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
Deposit date:2022-08-16
Release date:2023-06-28
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.35 Å)
Cite:Potential for clicked streptogramin analogs
To Be Published
8E35
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BU of 8e35 by Molmil
E. coli 50S ribosome bound to compound SAB002
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ...
Authors:Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
Deposit date:2022-08-16
Release date:2023-06-28
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.27 Å)
Cite:Potential for clicked streptogramin analogs
To Be Published
8E33
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BU of 8e33 by Molmil
E. coli 50S ribosome bound to compound streptogramin analog SAB001
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ...
Authors:Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
Deposit date:2022-08-16
Release date:2023-06-28
Method:ELECTRON MICROSCOPY (2.23 Å)
Cite:Potential for clicked streptogramin analogs
To Be Published
5ZV2
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BU of 5zv2 by Molmil
FGFR-1 in complex with ligand lenvatinib
Descriptor: 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide, Fibroblast growth factor receptor 1
Authors:Matsuki, M, Hoshi, T, Yamamoto, Y, Ikemori-Kawada, M, Minoshima, Y, Funahashi, Y, Matsui, J.
Deposit date:2018-05-09
Release date:2018-07-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Lenvatinib inhibits angiogenesis and tumor fibroblast growth factor signaling pathways in human hepatocellular carcinoma models.
Cancer Med, 7, 2018
5YCH
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BU of 5ych by Molmil
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
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
5YCI
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BU of 5yci by Molmil
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
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
5YCJ
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BU of 5ycj by Molmil
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
5WRL
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BU of 5wrl by Molmil
Mu2 subunit of the clathrin adaptor complex AP2 in complex with IRS-1 Y628 peptide
Descriptor: AP-2 complex subunit mu, Insulin receptor substrate 1
Authors:Yoneyama, Y, Niwa, H, Umehara, T, Yokoyama, S, Hakuno, F, Takahashi, S.
Deposit date:2016-12-02
Release date:2017-12-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.095 Å)
Cite:IRS-1 acts as an endocytic regulator of IGF-I receptor to facilitate sustained IGF signaling
Elife, 7, 2018
5WRK
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BU of 5wrk by Molmil
Mu2 subunit of the clathrin adaptor complex AP2 in complex with IRS-1 Y608 peptide
Descriptor: AP-2 complex subunit mu, Insulin receptor substrate 1, NICKEL (II) ION
Authors:Yoneyama, Y, Niwa, H, Umehara, T, Yokoyama, S, Hakuno, F, Takahashi, S.
Deposit date:2016-12-02
Release date:2017-12-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:IRS-1 acts as an endocytic regulator of IGF-I receptor to facilitate sustained IGF signaling
Elife, 7, 2018
5XCA
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BU of 5xca by Molmil
Crystal structure of GH45 endoglucanase EG27II D137A mutant in complex with cellobiose
Descriptor: Endo-beta-1,4-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Nomura, T, Mizutani, K, Iwase, H, Takahashi, N, Mikami, B.
Deposit date:2017-03-22
Release date:2018-03-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:High-resolution crystal structures of the glycoside hydrolase family 45 endoglucanase EG27II from the snail Ampullaria crossean.
Acta Crystallogr D Struct Biol, 75, 2019
5XC8
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BU of 5xc8 by Molmil
Crystal structure of GH45 endoglucanase EG27II at pH5.5, in complex with cellobiose
Descriptor: Endo-beta-1,4-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Nomura, T, Mizutani, K, Iwase, H, Takahashi, N, Mikami, B.
Deposit date:2017-03-22
Release date:2018-03-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:High-resolution crystal structures of the glycoside hydrolase family 45 endoglucanase EG27II from the snail Ampullaria crossean.
Acta Crystallogr D Struct Biol, 75, 2019
5XBX
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BU of 5xbx by Molmil
Crystal structure of GH45 endoglucanase EG27II in complex with cellobiose
Descriptor: Endo-beta-1,4-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Nomura, T, Mizutani, K, Iwase, H, Takahashi, N, Mikami, B.
Deposit date:2017-03-21
Release date:2018-03-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:High-resolution crystal structures of the glycoside hydrolase family 45 endoglucanase EG27II from the snail Ampullaria crossean.
Acta Crystallogr D Struct Biol, 75, 2019
5XC4
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BU of 5xc4 by Molmil
Crystal structure of GH45 endoglucanase EG27II at pH4.0, in complex with cellobiose
Descriptor: Endo-beta-1,4-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Nomura, T, Mizutani, K, Iwase, H, Takahashi, N, Mikami, B.
Deposit date:2017-03-22
Release date:2018-03-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:High-resolution crystal structures of the glycoside hydrolase family 45 endoglucanase EG27II from the snail Ampullaria crossean.
Acta Crystallogr D Struct Biol, 75, 2019
5XC9
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BU of 5xc9 by Molmil
Crystal structure of GH45 endoglucanase EG27II at pH8.0, in complex with cellobiose
Descriptor: Endo-beta-1,4-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Nomura, T, Mizutani, K, Iwase, H, Takahashi, N, Mikami, B.
Deposit date:2017-03-22
Release date:2018-03-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:High-resolution crystal structures of the glycoside hydrolase family 45 endoglucanase EG27II from the snail Ampullaria crossean.
Acta Crystallogr D Struct Biol, 75, 2019
5XBU
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BU of 5xbu by Molmil
Crystal structure of GH45 endoglucanase EG27II in apo-form
Descriptor: Endo-beta-1,4-glucanase
Authors:Nomura, T, Mizutani, K, Iwase, H, Takahashi, N, Mikami, B.
Deposit date:2017-03-21
Release date:2018-03-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:High-resolution crystal structures of the glycoside hydrolase family 45 endoglucanase EG27II from the snail Ampullaria crossean.
Acta Crystallogr D Struct Biol, 75, 2019
5XXN
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BU of 5xxn by Molmil
Crystal Structure of mutant (D286N) beta-glucosidase from Bacteroides thetaiotaomicron in complex with sophorose
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ...
Authors:Nakajima, M, Ishiguro, R, Tanaka, N, Abe, K, Maeda, T, Miyanaga, A, Takahashi, Y, Sugimono, N, Nakai, H, Taguchi, H.
Deposit date:2017-07-04
Release date:2017-12-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Function and structure relationships of a beta-1,2-glucooligosaccharide-degrading beta-glucosidase.
FEBS Lett., 591, 2017
5YNA
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BU of 5yna by Molmil
Crystal structure of Pullulanase from Klebsiella pneumoniae complex at 1 mM alpha-cyclodextrin
Descriptor: ACETATE ION, CALCIUM ION, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), ...
Authors:Saka, N, Iwamoto, H, Takahashi, N, Mizutani, K, Mikami, B.
Deposit date:2017-10-24
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Elucidation of the mechanism of interaction between Klebsiella pneumoniae pullulanase and cyclodextrin
Acta Crystallogr D Struct Biol, 74, 2018
5YNC
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BU of 5ync by Molmil
Crystal structure of Pullulanase from Klebsiella pneumoniae complex at 1 mM beta-cyclodextrin
Descriptor: ACETATE ION, CALCIUM ION, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), ...
Authors:Saka, N, Iwamoto, H, Takahashi, N, Mizutani, K, Mikami, B.
Deposit date:2017-10-24
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Elucidation of the mechanism of interaction between Klebsiella pneumoniae pullulanase and cyclodextrin
Acta Crystallogr D Struct Biol, 74, 2018
5YBW
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BU of 5ybw by Molmil
Crystal structure of pyridoxal 5'-phosphate-dependent aspartate racemase
Descriptor: Aspartate racemase
Authors:Mizobuchi, T, Nonaka, R, Yoshimura, M, Abe, K, Takahashi, S, Kera, Y, Goto, M.
Deposit date:2017-09-05
Release date:2017-12-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a pyridoxal 5'-phosphate-dependent aspartate racemase derived from the bivalve mollusc Scapharca broughtonii
Acta Crystallogr F Struct Biol Commun, 73, 2017
5YKY
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BU of 5yky by Molmil
Crystal Structure of Cross-Linked Tetragonal Hen Egg White Lysozyme Soaked with 10 mM Rose Bengal and 10mM H2PtCl6
Descriptor: CHLORIDE ION, Lysozyme C, PLATINUM (II) ION, ...
Authors:Tabe, H, Takahashi, H, Shimoi, T, Abe, S, Ueno, T, Yamada, Y.
Deposit date:2017-10-16
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Photocatalytic hydrogen evolution systems constructed in cross-linked porous protein crystals
Appl Catal B, 237, 2018
5YNE
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BU of 5yne by Molmil
Crystal structure of Pullulanase from Klebsiella pneumoniae complex at 10 mM alpha-cyclodextrin
Descriptor: CALCIUM ION, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), DI(HYDROXYETHYL)ETHER, ...
Authors:Saka, N, Iwamoto, H, Takahashi, N, Mizutani, K, Mikami, B.
Deposit date:2017-10-24
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Elucidation of the mechanism of interaction between Klebsiella pneumoniae pullulanase and cyclodextrin
Acta Crystallogr D Struct Biol, 74, 2018
5YPX
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BU of 5ypx by Molmil
Crystal structure of calaxin with magnesium
Descriptor: Calaxin, MAGNESIUM ION
Authors:Shojima, T, Hou, F, Takahashi, Y, Okai, M, Mizuno, K, Inaba, K, Miyakawa, T, Tanokura, M.
Deposit date:2017-11-04
Release date:2018-03-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Crystal structure of a Ca2+-dependent regulator of flagellar motility reveals the open-closed structural transition
Sci Rep, 8, 2018

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