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5XT3
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BU of 5xt3 by Molmil
The catalytic domain of GdpP with c-di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MANGANESE (II) ION, Phosphodiesterase acting on cyclic dinucleotides
Authors:Wang, F, Gu, L.
Deposit date:2017-06-16
Release date:2018-01-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.591 Å)
Cite:Structural and biochemical characterization of the catalytic domains of GdpP reveals a unified hydrolysis mechanism for the DHH/DHHA1 phosphodiesterase
Biochem. J., 475, 2018
8HQ3
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BU of 8hq3 by Molmil
KL1 in complex with CRM1-Ran-RanBP1
Descriptor: CHLORIDE ION, CRM1 isoform 1, DIMETHYL SULFOXIDE, ...
Authors:Sun, Q, Jian, L.
Deposit date:2022-12-13
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Aminoratjadone Derivatives as Potent Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
8HQ6
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BU of 8hq6 by Molmil
KL2 in complex with CRM1-Ran-RanBP1
Descriptor: CHLORIDE ION, CRM1 isoform 1, DIMETHYL SULFOXIDE, ...
Authors:Sun, Q, Jian, L.
Deposit date:2022-12-13
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery of Aminoratjadone Derivatives as Potent Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
8J4T
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BU of 8j4t by Molmil
GajA-GajB complex
Descriptor: Endonuclease GajA, Gabija protein GajB
Authors:Wei, T, Ma, J, Huo, Y.
Deposit date:2023-04-20
Release date:2024-02-21
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural and biochemical insights into the mechanism of the Gabija bacterial immunity system.
Nat Commun, 15, 2024
6A06
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BU of 6a06 by Molmil
Structure of pSTING complex
Descriptor: SULFATE ION, Stimulator of interferon genes protein, cGAMP
Authors:Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
Deposit date:2018-06-05
Release date:2019-06-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
6A04
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BU of 6a04 by Molmil
Structure of pSTING complex
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), SULFATE ION, Stimulator of interferon genes protein
Authors:Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
Deposit date:2018-06-05
Release date:2019-06-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
6A05
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BU of 6a05 by Molmil
Structure of pSTING complex
Descriptor: 2-amino-9-[(2R,3R,3aR,5S,7aS,9R,10R,10aR,12R,14aS)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, SULFATE ION, Stimulator of interferon genes protein
Authors:Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
Deposit date:2018-06-05
Release date:2019-06-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
6A03
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BU of 6a03 by Molmil
Structure of pSTING complex
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, SULFATE ION, Stimulator of interferon genes protein
Authors:Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
Deposit date:2018-06-05
Release date:2019-06-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
7DO4
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BU of 7do4 by Molmil
Crystal structure of CD97-CD55 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Niu, M, Song, G.
Deposit date:2020-12-11
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for CD97 recognition of the decay-accelerating factor CD55 suggests mechanosensitive activation of adhesion GPCRs.
J.Biol.Chem., 296, 2021
7EAK
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BU of 7eak by Molmil
Echovirus3 full particle in complex with 5G3 fab
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Feng, R.
Deposit date:2021-03-07
Release date:2021-07-14
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis for neutralization of an anicteric hepatitis associated echovirus by a potent neutralizing antibody.
Cell Discov, 7, 2021
7EAH
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BU of 7eah by Molmil
Echovirus3 empty expanded particle
Descriptor: Capsid protein VP0, Capsid protein VP1, Capsid protein VP3
Authors:Feng, R.
Deposit date:2021-03-07
Release date:2021-07-14
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for neutralization of an anicteric hepatitis associated echovirus by a potent neutralizing antibody.
Cell Discov, 7, 2021
7EAI
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BU of 7eai by Molmil
Echovirus3 empty compacted particle
Descriptor: Capsid protein VP0, Capsid protein VP1, Capsid protein VP3, ...
Authors:Feng, R.
Deposit date:2021-03-07
Release date:2021-07-14
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis for neutralization of an anicteric hepatitis associated echovirus by a potent neutralizing antibody.
Cell Discov, 7, 2021
7EAJ
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BU of 7eaj by Molmil
Echovirus3 empty expanded particle in complex with 5G3 fab
Descriptor: VP0, VP1, VP3, ...
Authors:Feng, R.
Deposit date:2021-03-07
Release date:2021-07-14
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis for neutralization of an anicteric hepatitis associated echovirus by a potent neutralizing antibody.
Cell Discov, 7, 2021
6IFE
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BU of 6ife by Molmil
A Glycoside Hydrolase Family 43 beta-Xylosidase
Descriptor: Beta-xylosidase, GLYCEROL
Authors:Li, N, Liu, Y, Zhang, R, Zhou, J.P, Huang, Z.X.
Deposit date:2018-09-20
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.804 Å)
Cite:Biochemical and structural properties of a low-temperature-active glycoside hydrolase family 43 beta-xylosidase: Activity and instability at high neutral salt concentrations.
Food Chem, 301, 2019
6IYF
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BU of 6iyf by Molmil
Structure of pSTING complex
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, SULFATE ION, Stimulator of interferon genes protein
Authors:Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
Deposit date:2018-12-15
Release date:2019-06-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.764 Å)
Cite:Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
6J6F
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BU of 6j6f by Molmil
Ligand binding domain 1 and 2 of Talaromyces marneffei Mp1 protein
Descriptor: Envelope glycoprotein, NICKEL (II) ION
Authors:Lam, W.H, Zhang, H, Hao, Q.
Deposit date:2019-01-15
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Talaromyces marneffeiMp1 Protein, a Novel Virulence Factor, Carries Two Arachidonic Acid-Binding Domains To Suppress Inflammatory Responses in Hosts.
Infect. Immun., 87, 2019
6MGN
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BU of 6mgn by Molmil
mouse Id1 (51-104) - human hE47 (348-399) complex
Descriptor: DNA-binding protein inhibitor ID-1, Transcription factor E2-alpha
Authors:Benezra, R, Pavletich, N.P, Gall, A.-L, Goldgur, Y.
Deposit date:2018-09-14
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:A Small-Molecule Pan-Id Antagonist Inhibits Pathologic Ocular Neovascularization.
Cell Rep, 29, 2019
6MGM
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BU of 6mgm by Molmil
Helix-Loop-helix motif of mouse DNA-binding protein inhibitor ID-1
Descriptor: DNA-binding protein inhibitor ID-1
Authors:Benezra, R, Pavletich, N.P, Goldgur, Y, Gall, A.-L.
Deposit date:2018-09-14
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:A Small-Molecule Pan-Id Antagonist Inhibits Pathologic Ocular Neovascularization.
Cell Rep, 29, 2019
6MX3
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BU of 6mx3 by Molmil
Crystal structure of human STING (G230A, H232R, R293Q) in complex with Compound 1
Descriptor: (3S,4S)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid, CALCIUM ION, Stimulator of interferon genes protein
Authors:Lesburg, C.A, Siu, T, Ho, T.
Deposit date:2018-10-30
Release date:2018-12-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.362 Å)
Cite:Discovery of a Novel cGAMP Competitive Ligand of the Inactive Form of STING.
ACS Med Chem Lett, 10, 2019
6MXE
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BU of 6mxe by Molmil
Crystal structure of human STING (G230A, H232R, R293Q) in complex with Compound 18
Descriptor: CALCIUM ION, Stimulator of interferon genes protein, [(3S,4S)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]acetic acid
Authors:Lesburg, C.A, Siu, T, Ho, T.
Deposit date:2018-10-30
Release date:2018-12-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Discovery of a Novel cGAMP Competitive Ligand of the Inactive Form of STING.
ACS Med Chem Lett, 10, 2019
6MX0
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BU of 6mx0 by Molmil
Crystal structure of human STING apoprotein (G230A, H232R, R293Q)
Descriptor: CALCIUM ION, Stimulator of interferon genes protein
Authors:Lesburg, C.A, Siu, T, Ho, T.
Deposit date:2018-10-30
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of a Novel cGAMP Competitive Ligand of the Inactive Form of STING.
ACS Med Chem Lett, 10, 2019
7VLN
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BU of 7vln by Molmil
NSD2-PWWP1 domain bound with an imidazol-5-yl benzonitrile compound
Descriptor: 4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile, Histone-lysine N-methyltransferase NSD2
Authors:Cao, D.Y, Li, Y.L, Li, J, Xiong, B.
Deposit date:2021-10-05
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Structure-Based Discovery of a Series of NSD2-PWWP1 Inhibitors.
J.Med.Chem., 65, 2022
7W9B
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BU of 7w9b by Molmil
SARS-CoV-2 Delta S-ACE2-C2b
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Cong, Y, Liu, C.X.
Deposit date:2021-12-09
Release date:2022-01-12
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for SARS-CoV-2 Delta variant recognition of ACE2 receptor and broadly neutralizing antibodies.
Nat Commun, 13, 2022
7W99
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BU of 7w99 by Molmil
SARS-CoV-2 Delta S-ACE2-C2a
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Cong, Y, Liu, C.X.
Deposit date:2021-12-09
Release date:2022-01-12
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for SARS-CoV-2 Delta variant recognition of ACE2 receptor and broadly neutralizing antibodies.
Nat Commun, 13, 2022
7W9C
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BU of 7w9c by Molmil
SARS-CoV-2 Delta S-ACE2-C3
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Cong, Y, Liu, C.X.
Deposit date:2021-12-09
Release date:2022-01-12
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for SARS-CoV-2 Delta variant recognition of ACE2 receptor and broadly neutralizing antibodies.
Nat Commun, 13, 2022

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