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7WR6
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BU of 7wr6 by Molmil
Crystal structure of ADP-riboxanated caspase-4 in complex with Af1521
Descriptor: ADP-ribose glycohydrolase AF_1521, Caspase-4, [[(3~{a}~{S},5~{R},6~{R},6~{a}~{R})-2-azanylidene-3-[(4~{R})-4-azanyl-5-oxidanylidene-pentyl]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Hou, Y.J, Zeng, H, Shao, F, Ding, J.
Deposit date:2022-01-26
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
7WR1
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BU of 7wr1 by Molmil
P32 of caspase-4 C258A mutant in complex with OspC3 C-terminal ankyrin-repeat domain
Descriptor: Caspase-4, OspC3
Authors:Hou, Y.J, Zeng, H, Shao, F, Ding, J.
Deposit date:2022-01-26
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
7WR3
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BU of 7wr3 by Molmil
Crystal structure of MBP-fused OspC3 in complex with calmodulin
Descriptor: Calmodulin-1, MBP-fused OspC3, NICOTINAMIDE, ...
Authors:Hou, Y.J, Zeng, H, Shao, F, Ding, J.
Deposit date:2022-01-26
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
7WR5
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BU of 7wr5 by Molmil
Crystal structure of OspC3-calmodulin-caspase-4 complex binding with 2'-aF-NAD+
Descriptor: Calmodulin-1, Caspase-4, OspC3, ...
Authors:Hou, Y.J, Zeng, H, Shao, F, Ding, J.
Deposit date:2022-01-26
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
7V6N
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BU of 7v6n by Molmil
MERS S ectodomain trimer in complex with neutralizing antibody 111 state1
Descriptor: 111 H, 111 L, Spike glycoprotein
Authors:Wang, X, Zhao, J, Wang, Z, Zeng, J, Zhang, S, Wang, Y.
Deposit date:2021-08-20
Release date:2022-09-14
Method:ELECTRON MICROSCOPY (3.99 Å)
Cite:MERS S ectodomain trimer in complex with neutralizing antibody 111 state1
to be published
7V6O
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BU of 7v6o by Molmil
MERS S ectodomain trimer in complex with neutralizing antibody 111 (state 2)
Descriptor: 111 H, 111 L, Spike glycoprotein
Authors:Wang, X, Zhao, J, Wang, Z, Zeng, J, Zhang, S, Wang, Y.
Deposit date:2021-08-20
Release date:2022-09-28
Method:ELECTRON MICROSCOPY (4.56 Å)
Cite:MERS S ectodomain trimer in complex with neutralizing antibody 111 (state 2)
to be published
7WQH
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BU of 7wqh by Molmil
Crystal structure of HCoV-NL63 main protease with PF07304814
Descriptor: 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
Authors:Zhong, F.L, Zhou, X.L, Lin, C, Zeng, P, Li, J, Zhang, J.
Deposit date:2022-01-25
Release date:2022-08-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural Basis of Main Proteases of Coronavirus Bound to Drug Candidate PF-07304814
J.Mol.Biol., 434, 2022
7WQI
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BU of 7wqi by Molmil
Crystal structure of SARS coronavirus main protease in complex with PF07304814
Descriptor: 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
Authors:Lin, C, Zhong, F.L, Zhou, X.L, Zeng, P, Zhang, J, Li, J.
Deposit date:2022-01-25
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structure of SARS coronavirus main protease in complex with PF07304814
To Be Published
7WR4
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BU of 7wr4 by Molmil
Crystal structure of OspC3-calmodulin-caspase-4 complex
Descriptor: Calmodulin-1, Caspase-4, OspC3
Authors:Hou, Y.J, Zeng, H, Shao, F, Ding, J.
Deposit date:2022-01-26
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023
3DMV
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BU of 3dmv by Molmil
Free of ligand binding in the hydrophobic cavity of T4 lysozyme L99A mutant
Descriptor: 2-HYDROXYETHYL DISULFIDE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Liu, L, Matthews, B.W.
Deposit date:2008-07-01
Release date:2008-11-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Halogenated benzenes bound within a non-polar cavity in T4 lysozyme provide examples of I...S and I...Se halogen-bonding.
J.Mol.Biol., 385, 2009
5XA3
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BU of 5xa3 by Molmil
Crystal Structure of P450BM3 with Benzyloxycarbonyl-L-prolyl-L-phenylalanine
Descriptor: Bifunctional cytochrome P450/NADPH-P450 reductase, DIMETHYL SULFOXIDE, PHENYLALANINE, ...
Authors:Shoji, O, Yanagisawa, S, Stanfield, J.K, Suzuki, K, Kasai, C, Cong, Z, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:2017-03-10
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Direct Hydroxylation of Benzene to Phenol by Cytochrome P450BM3 Triggered by Amino Acid Derivatives.
Angew. Chem. Int. Ed. Engl., 56, 2017
3EYK
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BU of 3eyk by Molmil
Structure of Influenza Haemagglutinin in complex with an inhibitor of membrane fusion
Descriptor: 2-tert-butylbenzene-1,4-diol, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
Authors:Russell, R.J, Kerry, P.S, Stevens, D.J, Steinhauer, D.A, Martin, S.R, Gamblin, S.J, Skehel, J.J.
Deposit date:2008-10-21
Release date:2009-01-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of influenza hemagglutinin in complex with an inhibitor of membrane fusion
Proc.Natl.Acad.Sci.USA, 105, 2008
7D5Z
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BU of 7d5z by Molmil
Crystal structure of EBV gH/gL bound with neutralizing antibody 1D8
Descriptor: Envelope glycoprotein H, Envelope glycoprotein L, heavy chain of 1D8, ...
Authors:Zhu, Q, Shan, S, Yu, J, Wang, X, Zhang, L, Zeng, M.
Deposit date:2020-09-28
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:A Neutralizing Antibody Targeting a New Site of Vulnerability on Epstein-Barr Virus gH/gL Protects against Dual-Tropic Infection
To Be Published
7DCB
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BU of 7dcb by Molmil
The structure of the Arabidopsis thaliana guanosine deaminase complexed with inosine
Descriptor: Guanosine deaminase, INOSINE, ZINC ION
Authors:Xie, W, Jia, Q, Zeng, H.
Deposit date:2020-10-23
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substrate Specificity of GSDA Revealed by Cocrystal Structures and Binding Studies.
Int J Mol Sci, 23, 2022
7DCW
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BU of 7dcw by Molmil
The structure of the Arabidopsis thaliana guanosine deaminase complexed with adenosine
Descriptor: ADENOSINE, Guanosine deaminase, ZINC ION
Authors:Xie, W, Jia, Q, Zeng, H.
Deposit date:2020-10-27
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Substrate Specificity of GSDA Revealed by Cocrystal Structures and Binding Studies.
Int J Mol Sci, 23, 2022
7E8L
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BU of 7e8l by Molmil
The structure of Spodoptera litura chemosensory protein
Descriptor: Putative chemosensory protein CSP8
Authors:Xie, W, Jia, Q, Zeng, H, Xiao, N, Tang, J, Gao, S, Zhang, J.
Deposit date:2021-03-02
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Crystal Structure of the Spodoptera litura Chemosensory Protein CSP8.
Insects, 12, 2021
7F79
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BU of 7f79 by Molmil
Crystal structure of glutamate dehydrogenase 3 from Candida albicans in complex with alpha-ketoglutarate and NADPH
Descriptor: 2-OXOGLUTARIC ACID, GLYCEROL, Glutamate dehydrogenase, ...
Authors:Li, N, Wang, W, Zeng, X, Liu, M, Li, M, Li, C, Wang, M.
Deposit date:2021-06-28
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of glutamate dehydrogenase 3 from Candida albicans.
Biochem.Biophys.Res.Commun., 570, 2021
7F77
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BU of 7f77 by Molmil
Crystal structure of glutamate dehydrogenase 3 from Candida albicans
Descriptor: Glutamate dehydrogenase
Authors:Li, N, Wang, W, Zeng, X, Liu, M, Li, M, Li, C, Wang, M.
Deposit date:2021-06-28
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.086 Å)
Cite:Crystal structure of glutamate dehydrogenase 3 from Candida albicans.
Biochem.Biophys.Res.Commun., 570, 2021
7CN8
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BU of 7cn8 by Molmil
Cryo-EM structure of PCoV_GX spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein, ...
Authors:Wang, X, Yu, J, Zhang, S, Qiao, S, Zeng, J, Tian, L.
Deposit date:2020-07-30
Release date:2021-03-03
Last modified:2021-03-24
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Bat and pangolin coronavirus spike glycoprotein structures provide insights into SARS-CoV-2 evolution.
Nat Commun, 12, 2021
7VN0
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BU of 7vn0 by Molmil
CATPO mutant - T188A
Descriptor: ALANINE, CALCIUM ION, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ...
Authors:Yuzugullu Karakus, Y, Balci Unver, S, Zengin Karatas, M, Goc, G, Pearson, A.R, Yorke, B.
Deposit date:2021-10-10
Release date:2022-09-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Investigation of how gate residues in the main channel affect the catalytic activity of Scytalidium thermophilum catalase.
Acta Crystallogr D Struct Biol, 80, 2024
7CN4
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BU of 7cn4 by Molmil
Cryo-EM structure of bat RaTG13 spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Wang, X, Zhang, S, Qiao, S, Yu, J, Zeng, J, Tian, L.
Deposit date:2020-07-30
Release date:2021-03-03
Last modified:2021-03-24
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Bat and pangolin coronavirus spike glycoprotein structures provide insights into SARS-CoV-2 evolution.
Nat Commun, 12, 2021
3EYM
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BU of 3eym by Molmil
Structure of Influenza Haemagglutinin in complex with an inhibitor of membrane fusion
Descriptor: 2-tert-butylbenzene-1,4-diol, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain
Authors:Russell, R.J, Kerry, P.S, Stevens, D.A, Steinhauer, D.A, Martin, S.R, Gamblin, S.J, Skehel, J.J.
Deposit date:2008-10-21
Release date:2009-01-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of influenza hemagglutinin in complex with an inhibitor of membrane fusion
Proc.Natl.Acad.Sci.USA, 105, 2008
7DBF
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BU of 7dbf by Molmil
The structure of the Arabidopsis thaliana guanosine deaminase
Descriptor: Guanosine deaminase, ZINC ION
Authors:Xie, W, Jia, Q, Zeng, H.
Deposit date:2020-10-20
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The C-terminal loop of Arabidopsis thaliana guanosine deaminase is essential to catalysis.
Chem.Commun.(Camb.), 57, 2021
7DC9
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BU of 7dc9 by Molmil
The structure of the Arabidopsis thaliana guanosine deaminase mutant E82Q complex with guanosine
Descriptor: GUANOSINE, Guanosine deaminase, ZINC ION
Authors:Xie, W, Jia, Q, Zeng, H.
Deposit date:2020-10-23
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The C-terminal loop of Arabidopsis thaliana guanosine deaminase is essential to catalysis.
Chem.Commun.(Camb.), 57, 2021
7DCA
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BU of 7dca by Molmil
The structure of the Arabidopsis thaliana guanosine deaminase bound by xanthosine
Descriptor: 2,3-dihydroxanthosine, Guanosine deaminase, ZINC ION
Authors:Xie, W, Jia, Q, Zeng, H.
Deposit date:2020-10-23
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The C-terminal loop of Arabidopsis thaliana guanosine deaminase is essential to catalysis.
Chem.Commun.(Camb.), 57, 2021

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