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5T1A
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BU of 5t1a by Molmil
Structure of CC Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{R})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{H}-pyrrol-5-one, (3S)-1-{(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one, ...
Authors:Zheng, Y, Qin, L, Ortiz Zacarias, N.V, de Vries, H, Han, G.W, Gustavsson, M, Dabros, M, Zhao, C, Cherney, R.J, Carter, P, Stamos, D, Abagyan, R, Cherezov, V, Stevens, R.C, IJzerman, A.P, Heitman, L.H, Tebben, A, Kufareva, I, Handel, T.M.
Deposit date:2016-08-18
Release date:2016-12-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.806 Å)
Cite:Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists.
Nature, 540, 2016
5URM
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BU of 5urm by Molmil
Crystal structure of human BRR2 in complex with T-1206548
Descriptor: 3-(5-{[(2R)-5-amino-2-cyclohexyl-7-oxo-2,3-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]methyl}furan-2-yl)benzoic acid, U5 small nuclear ribonucleoprotein 200 kDa helicase
Authors:Klein, M.G, Tjhen, R, Qin, L.
Deposit date:2017-02-11
Release date:2017-07-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2.
J. Med. Chem., 60, 2017
5URJ
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BU of 5urj by Molmil
Crystal structure of human BRR2 in complex with T-3905516
Descriptor: 6-benzyl-3-[(2R)-2-(3-fluoropyridin-2-yl)-6-methyl-3,4-dihydro-2H-1-benzopyran-7-yl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(3H,8H)-dione, GLYCEROL, U5 small nuclear ribonucleoprotein 200 kDa helicase
Authors:Klein, M.G, Tjhen, R, Qin, L.
Deposit date:2017-02-10
Release date:2017-07-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2.
J. Med. Chem., 60, 2017
1WDF
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BU of 1wdf by Molmil
crystal structure of MHV spike protein fusion core
Descriptor: E2 glycoprotein
Authors:Xu, Y, Liu, Y, Lou, Z, Qin, L, Li, X, Bai, Z, Tien, P, Gao, G.F, Rao, Z.
Deposit date:2004-05-14
Release date:2004-06-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Coronavirus-mediated Membrane Fusion: CRYSTAL STRUCTURE OF MOUSE HEPATITIS VIRUS SPIKE PROTEIN FUSION CORE
J.Biol.Chem., 279, 2004
1WDG
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BU of 1wdg by Molmil
crystal structure of MHV spike protein fusion core
Descriptor: E2 glycoprotein
Authors:Xu, Y, Liu, Y, Lou, Z, Qin, L, Li, X, Bai, Z, Tien, P, Gao, G.F, Rao, Z.
Deposit date:2004-05-14
Release date:2004-06-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural Basis for Coronavirus-mediated Membrane Fusion: CRYSTAL STRUCTURE OF MOUSE HEPATITIS VIRUS SPIKE PROTEIN FUSION CORE
J.Biol.Chem., 279, 2004
1BXD
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BU of 1bxd by Molmil
NMR STRUCTURE OF THE HISTIDINE KINASE DOMAIN OF THE E. COLI OSMOSENSOR ENVZ
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PROTEIN (OSMOLARITY SENSOR PROTEIN (ENVZ))
Authors:Tanaka, T, Saha, S.K, Tomomori, C, Ishima, R, Liu, D, Tong, K.I, Park, H, Dutta, R, Qin, L, Swindells, M.B, Yamazaki, T, Ono, A.M, Kainosho, M, Inouye, M, Ikura, M.
Deposit date:1998-10-02
Release date:1999-10-02
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:NMR structure of the histidine kinase domain of the E. coli osmosensor EnvZ.
Nature, 396, 1998
3OMA
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BU of 3oma by Molmil
Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides with K362M mutation
Descriptor: (2S,3R)-heptane-1,2,3-triol, CADMIUM ION, CALCIUM ION, ...
Authors:Liu, J, Qin, L, Ferguson-Miller, S.
Deposit date:2010-08-26
Release date:2011-02-02
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic and online spectral evidence for role of conformational change and conserved water in cytochrome oxidase proton pump.
Proc.Natl.Acad.Sci.USA, 108, 2011
3OMI
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BU of 3omi by Molmil
Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides with D132A mutation
Descriptor: (2S,3R)-heptane-1,2,3-triol, CADMIUM ION, CALCIUM ION, ...
Authors:Liu, J, Qin, L, Ferguson-Miller, S.
Deposit date:2010-08-27
Release date:2011-02-02
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystallographic and online spectral evidence for role of conformational change and conserved water in cytochrome oxidase proton pump.
Proc.Natl.Acad.Sci.USA, 108, 2011
3OMN
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BU of 3omn by Molmil
Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides with D132A mutation in the reduced state
Descriptor: (2S,3R)-heptane-1,2,3-triol, CADMIUM ION, CALCIUM ION, ...
Authors:Liu, J, Qin, L, Ferguson-Miller, S.
Deposit date:2010-08-27
Release date:2011-02-02
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystallographic and online spectral evidence for role of conformational change and conserved water in cytochrome oxidase proton pump.
Proc.Natl.Acad.Sci.USA, 108, 2011
3OM3
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BU of 3om3 by Molmil
Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides with K362M mutation in the reduced state
Descriptor: (2S,3R)-heptane-1,2,3-triol, CADMIUM ION, CALCIUM ION, ...
Authors:Liu, J, Qin, L, Ferguson-Miller, S.
Deposit date:2010-08-26
Release date:2011-02-02
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystallographic and online spectral evidence for role of conformational change and conserved water in cytochrome oxidase proton pump.
Proc.Natl.Acad.Sci.USA, 108, 2011
3PME
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BU of 3pme by Molmil
Crystal structure of the receptor binding domain of botulinum neurotoxin C/D mosaic serotype
Descriptor: GLYCEROL, SULFATE ION, Type C neurotoxin
Authors:Zhang, Y, Buchko, G.W, Qin, L, Robinson, H, Varnum, S.M, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-11-16
Release date:2010-12-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal structure of the receptor binding domain of the botulinum C-D mosaic neurotoxin reveals potential roles of lysines 1118 and 1136 in membrane interactions.
Biochem.Biophys.Res.Commun., 404, 2011
5HXG
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BU of 5hxg by Molmil
STM1697-FlhD complex
Descriptor: Flagellar transcriptional regulator FlhD, Uncharacterized protein STM1697
Authors:Li, B, Yuan, Z, Qin, L, Gu, L.
Deposit date:2016-01-30
Release date:2017-02-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Crystal structure of STM1697-FlhD complex
To Be Published
5HXF
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BU of 5hxf by Molmil
Crystal structure of 3C protease from a mild Human enterovirus 71 in complex with rupintrivir
Descriptor: 3C protease, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, SULFATE ION
Authors:Li, B, Yuan, Z, Qin, L, Gu, L.
Deposit date:2016-01-30
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Crystal structure of 3C protease from a mild Human enterovirus 71 in complex with rupintrivir
To Be Published
8B8R
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BU of 8b8r by Molmil
Complex of Echovirus 11 with its attaching receptor decay-accelerating factor (CD55)
Descriptor: DECAY ACCELERATING FACTOR (CD55), SPHINGOSINE, VP1, ...
Authors:Stuart, D.I, Ren, J, Zhou, D, Qin, L.
Deposit date:2022-10-04
Release date:2022-12-07
Last modified:2023-01-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Switching of Receptor Binding Poses between Closely Related Enteroviruses.
Viruses, 14, 2022
8B9F
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BU of 8b9f by Molmil
Structure of Echovirus 11 complexed with DAF (CD55) calculated from symmetry expansion
Descriptor: Complement decay-accelerating factor, Genome polyprotein, SPHINGOSINE
Authors:Stuart, D.I, Ren, J, Qin, L, Zhou, D.
Deposit date:2022-10-05
Release date:2022-12-07
Last modified:2023-01-04
Method:ELECTRON MICROSCOPY (3.93 Å)
Cite:Switching of Receptor Binding Poses between Closely Related Enteroviruses.
Viruses, 14, 2022
6IYZ
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BU of 6iyz by Molmil
Structural basis for activity of TRIC counter-ion channels in calcium release
Descriptor: CHLORIDE ION, Trimeric intracellular cation channel type A
Authors:Wang, X.H, Zeng, Y, Qin, L, Gao, F, Su, M, Chen, Y.H.
Deposit date:2018-12-18
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
7EN0
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BU of 7en0 by Molmil
Structure and Activity of SLAC1 Channels for Stomatal Signaling in Leaves
Descriptor: DIUNDECYL PHOSPHATIDYL CHOLINE, SLow Anion Channel 1, SPHINGOSINE
Authors:Deng, Y, Kashtoh, H, Wang, Q, Zhen, G, Li, Q, Tang, L, Gao, H, Zhang, C, Qin, L, Su, M, Li, F, Huang, X, Wang, Y, Xie, Q, Clarke, O.B, Hendrickson, W.A, Chen, Y.
Deposit date:2021-04-15
Release date:2021-05-19
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structure and activity of SLAC1 channels for stomatal signaling in leaves.
Proc.Natl.Acad.Sci.USA, 118, 2021
3IG9
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BU of 3ig9 by Molmil
Small outer capsid protein (SOC) of bacteriophage RB69
Descriptor: IMIDAZOLE, Soc small outer capsid protein
Authors:Li, Q, Fokine, A, O'Donnell, E, Rao, V.B, Rossmann, M.G.
Deposit date:2009-07-27
Release date:2009-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Small Outer Capsid Protein, Soc: A Clamp for Stabilizing Capsids of T4-like Phages
J.Mol.Biol., 395, 2010
3IGE
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BU of 3ige by Molmil
Small outer capsid protein (Soc) from bacteriophage RB69
Descriptor: IMIDAZOLE, Soc small outer capsid protein
Authors:Li, Q, Fokine, A, O'Donnell, E, Rao, V.B, Rossmann, M.G.
Deposit date:2009-07-27
Release date:2009-12-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.254 Å)
Cite:Structure of the Small Outer Capsid Protein, Soc: A Clamp for Stabilizing Capsids of T4-like Phages
J.Mol.Biol., 395, 2010
3PFJ
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BU of 3pfj by Molmil
Crystal structure of Cel7A from Talaromyces emersonii
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cellobiohydrolase 1 catalytic domain, SULFATE ION, ...
Authors:Qin, L, Pereira, J.H, McAndrew, R.P, Simmons, B.A, Sapra, R, Adams, P.D, Sale, K.L.
Deposit date:2010-10-28
Release date:2011-11-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3611 Å)
Cite:

3PL3
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BU of 3pl3 by Molmil
Crystal structure of Cel7A from Talaromyces emersonii in complex with cellopentaose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cellobiohydrolase 1 catalytic domain, SULFATE ION, ...
Authors:Qin, L, Pereira, J.H, McAndrew, R.P, Simmons, B.A, Sapra, R, Adams, P.D, Sale, K.L.
Deposit date:2010-11-12
Release date:2011-12-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.1804 Å)
Cite:

6YSE
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BU of 6yse by Molmil
Gp4 from the Pseudomonas phage LUZ24
Descriptor: Gp4
Authors:Bdira, F.B, Volkov, A.N, Dame, R.T.
Deposit date:2020-04-22
Release date:2021-05-12
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Novel anti-repression mechanism of H-NS proteins by a phage protein.
Nucleic Acids Res., 49, 2021
7PQZ
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BU of 7pqz by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with FI-3A and FD-11A Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FD-11A Fab heavy chain, FD-11A Fab light chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2021-09-20
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures and therapeutic potential of anti-RBD human monoclonal antibodies against SARS-CoV-2.
Theranostics, 12, 2022
7PQY
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BU of 7pqy by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with FI-3A Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, FI-3A Fab heavy chain, FI-3A Fab light chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.
Deposit date:2021-09-20
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures and therapeutic potential of anti-RBD human monoclonal antibodies against SARS-CoV-2.
Theranostics, 12, 2022
7PR0
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BU of 7pr0 by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with FD-5D Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, FD-5D Fab heavy chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2021-09-20
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Structures and therapeutic potential of anti-RBD human monoclonal antibodies against SARS-CoV-2.
Theranostics, 12, 2022

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