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6PQ0
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BU of 6pq0 by Molmil
LCP-embedded Proteinase K treated with MPD
Descriptor: CALCIUM ION, Proteinase K
Authors:Bu, G, Zhu, L, Jing, L, Shi, D, Gonen, T, Liu, W, Nannenga, B.L.
Deposit date:2019-07-08
Release date:2020-08-05
Last modified:2023-10-11
Method:ELECTRON CRYSTALLOGRAPHY (2 Å)
Cite:Structure Determination from Lipidic Cubic Phase Embedded Microcrystals by MicroED.
Structure, 28, 2020
6PQ4
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BU of 6pq4 by Molmil
LCP-embedded Proteinase K treated with lipase
Descriptor: CALCIUM ION, NITRATE ION, Proteinase K
Authors:Bu, G, Zhu, L, Jing, L, Shi, D, Gonen, T, Liu, W, Nannenga, B.L.
Deposit date:2019-07-08
Release date:2020-08-05
Last modified:2024-10-09
Method:ELECTRON CRYSTALLOGRAPHY (2 Å)
Cite:Structure Determination from Lipidic Cubic Phase Embedded Microcrystals by MicroED.
Structure, 28, 2020
6PS2
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BU of 6ps2 by Molmil
XFEL beta2 AR structure by ligand exchange from Timolol to Alprenolol.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ...
Authors:Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C.
Deposit date:2019-07-12
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
6PS3
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BU of 6ps3 by Molmil
XFEL beta2 AR structure by ligand exchange from Timolol to Carvedilol.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(8H-CARBAZOL-4-YLOXY)-3-[2-(2-METHOXYPHENOXY)ETHYLAMINO]PROPAN-2-OL, CHOLESTEROL, ...
Authors:Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C.
Deposit date:2019-07-12
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
6PS6
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BU of 6ps6 by Molmil
XFEL beta2 AR structure by ligand exchange from Timolol to Timolol.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, CHOLESTEROL, ...
Authors:Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C.
Deposit date:2019-07-12
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
6Q1F
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BU of 6q1f by Molmil
Atomic structure of the Human Herpesvirus 6B Capsid and Capsid-Associated Tegument Complexes
Descriptor: Large structural phosphoprotein, Major capsid protein, Small capsomere-interacting protein, ...
Authors:Zhang, Y.B, Liu, W, Li, Z.H, Kumar, V, Alvarez-Cabrera, A.L, Leibovitch, E, Cui, Y.X, Mei, Y, Bi, G.Q, Jacobson, S, Zhou, Z.H.
Deposit date:2019-08-03
Release date:2019-12-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Atomic structure of the human herpesvirus 6B capsid and capsid-associated tegument complexes.
Nat Commun, 10, 2019
6PS4
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BU of 6ps4 by Molmil
XFEL beta2 AR structure by ligand exchange from Timolol to ICI-118551.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-[(1-methylethyl)amino]butan-2-ol, CHOLESTEROL, ...
Authors:Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C.
Deposit date:2019-07-12
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
6PS8
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BU of 6ps8 by Molmil
XFEL MT1R structure by ligand exchange from agomelatine to 2-phenylmelatonin.
Descriptor: Fusion protein of Melatonin receptor type 1A and GlgA glycogen synthase, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide
Authors:Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C.
Deposit date:2019-07-12
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
6PS5
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BU of 6ps5 by Molmil
XFEL beta2 AR structure by ligand exchange from Timolol to Propranolol.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL, CHOLESTEROL, ...
Authors:Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C.
Deposit date:2019-07-12
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
6PS7
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BU of 6ps7 by Molmil
XFEL A2aR structure by ligand exchange from LUF5843 to ZM241385.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
Authors:Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C.
Deposit date:2019-07-12
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
5ET0
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BU of 5et0 by Molmil
Crystal structure of Myo3b-ARB2 in complex with Espin1-AR
Descriptor: Espin, Myosin-IIIb
Authors:Liu, H, Li, J, Liu, W, Zhang, M.
Deposit date:2015-11-17
Release date:2016-02-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Myosin III-mediated cross-linking and stimulation of actin bundling activity of Espin
Elife, 5, 2016
5ET1
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BU of 5et1 by Molmil
Crystal structure of Myo3b-ARB1 in complex with Espin1-AR
Descriptor: Espin, GLYCEROL, Myosin-IIIb
Authors:Liu, H, Li, J, liu, W, Zhang, M.
Deposit date:2015-11-17
Release date:2016-02-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Myosin III-mediated cross-linking and stimulation of actin bundling activity of Espin
Elife, 5, 2016
5D8W
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BU of 5d8w by Molmil
Structrue of a lucidum protein
Descriptor: Endoglucanase
Authors:Guo, R, Li, Q, Shang, N, Liu, G, Ko, T.P, Chen, C.C, Liu, W.
Deposit date:2015-08-18
Release date:2016-06-29
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Functional and structural analyses of a 1,4-beta-endoglucanase from Ganoderma lucidum.
Enzyme.Microb.Technol., 86, 2016
5D8Z
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BU of 5d8z by Molmil
Structrue of a lucidum protein
Descriptor: beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, endoglucanase
Authors:Guo, R, Li, Q, Shang, N, Liu, G, Ko, T.P, Chen, C.C, Liu, W.
Deposit date:2015-08-18
Release date:2016-06-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Functional and structural analyses of a 1,4-beta-endoglucanase from Ganoderma lucidum.
Enzyme.Microb.Technol., 86, 2016
5DO2
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BU of 5do2 by Molmil
Complex structure of MERS-RBD bound with 4C2 antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4C2 heavy chain, 4C2 light chain, ...
Authors:Li, Y, Wan, Y, Liu, P, Zhao, J, Lu, G, Qi, J, Wang, Q, Lu, X, Wu, Y, Liu, W, Yuen, K.Y, Perlman, S, Gao, G.F, Yan, J.
Deposit date:2015-09-10
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.409 Å)
Cite:A humanized neutralizing antibody against MERS-CoV targeting the receptor-binding domain of the spike protein.
Cell Res., 25, 2015
6KZW
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BU of 6kzw by Molmil
Crystal structure of YggS family pyridoxal phosphate-dependent enzyme PipY from Fusobacterium nucleatum
Descriptor: PHOSPHATE ION, Pyridoxal phosphate homeostasis protein
Authors:Chen, Y, Wang, L, Shang, F, Lan, J, Liu, W, Xu, Y.
Deposit date:2019-09-25
Release date:2019-10-16
Last modified:2021-01-13
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structure of YggS family pyridoxal phosphate-dependent enzyme PipY from Fusobacterium nucleatum
To Be Published
6L3E
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BU of 6l3e by Molmil
Crystal structure of Salmonella enterica sugar-binding protein MalE
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
Authors:Wang, L, Chen, Y, Liu, W, Lan, J, Shang, F, Xu, Y.
Deposit date:2019-10-10
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The crystal structure of Salmonella enterica sugar-binding protein MalE
To Be Published
1AJ4
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BU of 1aj4 by Molmil
STRUCTURE OF CALCIUM-SATURATED CARDIAC TROPONIN C, NMR, 1 STRUCTURE
Descriptor: CALCIUM ION, TROPONIN C
Authors:Sia, S.K, Li, M.X, Spyracopoulos, L, Gagne, S.M, Liu, W, Putkey, J.A, Sykes, B.D.
Deposit date:1997-05-14
Release date:1998-05-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of cardiac muscle troponin C unexpectedly reveals a closed regulatory domain.
J.Biol.Chem., 272, 1997
6L0Z
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BU of 6l0z by Molmil
The crystal structure of Salmonella enterica sugar-binding protein MalE
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,5-anhydro-D-glucitol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Wang, L, Chen, Y, Liu, W, Lan, J, Shang, F, Xu, Y.
Deposit date:2019-09-27
Release date:2019-10-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The crystal structure of Salmonella enterica sugar-binding protein MalE
To Be Published
6L19
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BU of 6l19 by Molmil
The crystal structure of competence or damage-inducible protein from Enterobacter asburiae
Descriptor: CHLORIDE ION, GLYCEROL, PncC family amidohydrolase, ...
Authors:Wang, L, Chen, Y, Liu, W, Lan, J, Shang, F, Xu, Y.
Deposit date:2019-09-28
Release date:2019-10-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:The crystal structure of Competence or damage-inducible protein from Enterobacter asburiae
To Be Published
6L1K
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BU of 6l1k by Molmil
Crystal structure of NADH-dependent butanol dehydrogenase A from Fusobacterium nucleatum
Descriptor: NADH-dependent butanol dehydrogenase A, PHOSPHATE ION
Authors:Lan, J, Shang, F, Liu, W, Xu, Y, Chen, Y.
Deposit date:2019-09-29
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structure of NADH-dependent butanol dehydrogenase A from Fusobacterium nucleatum
To Be Published
5AY7
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BU of 5ay7 by Molmil
A psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase
Descriptor: xylanase
Authors:Zheng, Y, Li, Y, Liu, W, Guo, R.T.
Deposit date:2015-08-10
Release date:2016-02-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural insight into potential cold adaptation mechanism through a psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase.
J.Struct.Biol., 193, 2016
3VSG
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BU of 3vsg by Molmil
Crystal structure of iron free 1,6-APD, 2-Animophenol-1,6-Dioxygenase
Descriptor: 2-amino-5-chlorophenol 1,6-dioxygenase alpha subunit, 2-amino-5-chlorophenol 1,6-dioxygenase beta subunit
Authors:Li, D.F, Hou, Y.J, Hu, Y, Wang, D.C, Liu, W.
Deposit date:2012-04-25
Release date:2013-01-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of aminophenol dioxygenase in complex with intermediate, product and inhibitor
Acta Crystallogr.,Sect.D, 69, 2013
3VSI
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BU of 3vsi by Molmil
Crystal structure of native 1,6-APD (2-Animophenol-1,6-dioxygenase) complex with 4-Nitrocatechol
Descriptor: 2-amino-5-chlorophenol 1,6-dioxygenase alpha subunit, 2-amino-5-chlorophenol 1,6-dioxygenase beta subunit, 4-NITROCATECHOL, ...
Authors:Li, D.F, Hou, Y.J, Hu, Y, Wang, D.C, Liu, W.
Deposit date:2012-04-25
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of aminophenol dioxygenase in complex with intermediate, product and inhibitor
Acta Crystallogr.,Sect.D, 69, 2013
3VSJ
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BU of 3vsj by Molmil
Crystal structure of 1,6-APD (2-ANIMOPHENOL-1,6-DIOXYGENASE) complexed with intermediate products
Descriptor: (2Z,4Z)-2-imino-6-oxohex-4-enoic acid, (3E)-3-iminooxepin-2(3H)-one, 2-amino-5-chlorophenol 1,6-dioxygenase alpha subunit, ...
Authors:Li, D.F, Hou, Y.J, Hu, Y, Wang, D.C, Liu, W.
Deposit date:2012-04-25
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of aminophenol dioxygenase in complex with intermediate, product and inhibitor
Acta Crystallogr.,Sect.D, 69, 2013

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