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8EX6
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BU of 8ex6 by Molmil
Human S1P transporter Spns2 in an inward-facing open conformation (state 1*)
Descriptor: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Sphingosine-1-phosphate transporter SPNS2
Authors:Ahmed, S, Zhao, H, Dai, Y, Lee, C.H.
Deposit date:2022-10-24
Release date:2023-05-31
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Structural and functional insights into Spns2-mediated transport of sphingosine-1-phosphate.
Cell, 186, 2023
8EX7
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BU of 8ex7 by Molmil
Human S1P transporter Spns2 in an outward-facing partially occluded conformation (state 3)
Descriptor: Sphingosine-1-phosphate transporter SPNS2
Authors:Ahmed, S, Zhao, H, Dai, Y, Lee, C.H.
Deposit date:2022-10-24
Release date:2023-05-31
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Structural and functional insights into Spns2-mediated transport of sphingosine-1-phosphate.
Cell, 186, 2023
8EX4
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BU of 8ex4 by Molmil
Human S1P transporter Spns2 in an inward-facing open conformation (state 1)
Descriptor: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Sphingosine-1-phosphate transporter SPNS2
Authors:Ahmed, S, Zhao, H, Dai, Y, Lee, C.H.
Deposit date:2022-10-24
Release date:2023-05-31
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structural and functional insights into Spns2-mediated transport of sphingosine-1-phosphate.
Cell, 186, 2023
8EX8
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BU of 8ex8 by Molmil
Human S1P transporter Spns2 in an outward-facing partially occluded conformation (state 2)
Descriptor: Sphingosine-1-phosphate transporter SPNS2
Authors:Ahmed, S, Zhao, H, Dai, Y, Lee, C.H.
Deposit date:2022-10-24
Release date:2023-05-31
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.17 Å)
Cite:Structural and functional insights into Spns2-mediated transport of sphingosine-1-phosphate.
Cell, 186, 2023
7WBQ
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BU of 7wbq by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Delta variant spike glycoprotein in complex with its receptor human ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Qi, J, Han, P.
Deposit date:2021-12-17
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2.
Cell, 185, 2022
7WBP
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BU of 7wbp by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Omicron variant spike glycoprotein in complex with its receptor human ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Qi, J, Han, P.
Deposit date:2021-12-17
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2.
Cell, 185, 2022
5GNK
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BU of 5gnk by Molmil
Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34
Descriptor: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, ...
Authors:Yan, X.E, Yun, C.H.
Deposit date:2016-07-21
Release date:2017-04-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Discovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode.
J. Med. Chem., 60, 2017
7WBL
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BU of 7wbl by Molmil
Cryo-EM structure of human ACE2 complexed with SARS-CoV-2 Omicron RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Liu, S, Gao, F.G.
Deposit date:2021-12-17
Release date:2022-01-19
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2.
Cell, 185, 2022
8EOV
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BU of 8eov by Molmil
Precisely patterned nanofibers made from extendable protein multiplexes
Descriptor: C2HR1_4r, PHOSPHATE ION
Authors:Bera, A.K, Bethel, N.P.
Deposit date:2022-10-04
Release date:2023-08-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Precisely patterned nanofibres made from extendable protein multiplexes.
Nat.Chem., 15, 2023
8EOX
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BU of 8eox by Molmil
Precisely patterned nanofibers made from extendable protein multiplexes
Descriptor: C4HR1_4r
Authors:Bera, A.K, Bethel, N.P.
Deposit date:2022-10-04
Release date:2023-08-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Precisely patterned nanofibres made from extendable protein multiplexes.
Nat.Chem., 15, 2023
4OK6
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BU of 4ok6 by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 13 [[1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid]
Descriptor: CALCIUM ION, Serine protease NS3, [1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4OK3
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BU of 4ok3 by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 7 [[1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid]
Descriptor: CALCIUM ION, Serine protease NS3, [1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
5GTY
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BU of 5gty by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26
Descriptor: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, Epidermal growth factor receptor
Authors:Yan, X.E, Yun, C.H.
Deposit date:2016-08-23
Release date:2017-09-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Discovery and characterization of a novel irreversible EGFR mutants selective and potent kinase inhibitor CHMFL-EGFR-26 with a distinct binding mode.
Oncotarget, 8, 2017
8ETN
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BU of 8etn by Molmil
The X-ray Crystal Structure of Tri-Ketone Dioxygenase from Rice
Descriptor: Tri-Ketone Dioxygenase
Authors:Rydel, T.J, Duda, D, Zheng, M, Duff, S.M.G.
Deposit date:2022-10-17
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Structural and functional characterization of triketone dioxygenase from Oryza Sativa.
Biochim Biophys Acta Gen Subj, 1868, 2023
4OKS
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BU of 4oks by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 19 [[6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid]
Descriptor: CALCIUM ION, Serine protease NS3, [6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid
Authors:Padyana, A.K.
Deposit date:2014-01-22
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
7WCY
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BU of 7wcy by Molmil
Crystal Structure of H-2Kb with Cryptosporidium parvum gp40/15 epitope
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ...
Authors:Wang, Y.L, Gao, M.H, Zhang, L.X, Fan, S.H.
Deposit date:2021-12-20
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural Analyses of a Dominant Cryptosporidium parvum Epitope Presented by H-2K b Offer New Options To Combat Cryptosporidiosis.
Mbio, 14, 2023
6KI8
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BU of 6ki8 by Molmil
Pyrophosphatase mutant K149R from Acinetobacter baumannii
Descriptor: DIPHOSPHATE, Inorganic pyrophosphatase, MAGNESIUM ION
Authors:Su, J.
Deposit date:2019-07-17
Release date:2019-10-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal Structures of Pyrophosphatase from Acinetobacter baumannii: Snapshots of Pyrophosphate Binding and Identification of a Phosphorylated Enzyme Intermediate.
Int J Mol Sci, 20, 2019
8FUR
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BU of 8fur by Molmil
Crystal structure of human IDO1 with compound 11
Descriptor: Indoleamine 2,3-dioxygenase 1, N-(4-methylphenyl)-N'-[(1P,2'P)-4-propoxy-5-propyl-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-yl]urea
Authors:Critton, D.A, Lewis, H.A.
Deposit date:2023-01-18
Release date:2023-04-26
Last modified:2023-05-03
Method:X-RAY DIFFRACTION (2.285 Å)
Cite:Synthesis and biological evaluation of biaryl alkyl ethers as inhibitors of IDO1.
Bioorg.Med.Chem.Lett., 88, 2023
8FI8
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BU of 8fi8 by Molmil
Structure of Lettuce C20T bound to DFAME
Descriptor: Lettuce DNA aptamer, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2022-12-15
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Intricate 3D architecture of a DNA mimic of GFP.
Nature, 618, 2023
8FHV
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BU of 8fhv by Molmil
Structure of Lettuce aptamer bound to DFHBI-1T with thallium I ions
Descriptor: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one, Lettuce DNA aptamer, MAGNESIUM ION, ...
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2022-12-15
Release date:2023-05-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Intricate 3D architecture of a DNA mimic of GFP.
Nature, 618, 2023
8FHZ
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BU of 8fhz by Molmil
Structure of Lettuce aptamer bound to DFHO
Descriptor: (5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, Lettuce DNA aptamer, MAGNESIUM ION, ...
Authors:Passalacqua, L.F.M, Ferre-D'Amare, A.R.
Deposit date:2022-12-15
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Intricate 3D architecture of a DNA mimic of GFP.
Nature, 618, 2023
6KJW
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BU of 6kjw by Molmil
Galectin-13 variant C136S
Descriptor: Galactoside-binding soluble lectin 13
Authors:Su, J.
Deposit date:2019-07-23
Release date:2019-10-16
Last modified:2020-02-19
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Galectin-13/placental protein 13: redox-active disulfides as switches for regulating structure, function and cellular distribution.
Glycobiology, 30, 2020
8FIQ
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BU of 8fiq by Molmil
Multi-state design of two-state switchable hinge proteins
Descriptor: cs207AB
Authors:Bera, A.K, Leung, P.J.Y, Baker, D.
Deposit date:2022-12-16
Release date:2023-08-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Design of stimulus-responsive two-state hinge proteins.
Science, 381, 2023
8FVT
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BU of 8fvt by Molmil
Multi-state design of two-state switchable hinge proteins
Descriptor: 3hb12
Authors:Bera, A.K, Broerman, A, Baker, D.
Deposit date:2023-01-19
Release date:2023-08-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Design of stimulus-responsive two-state hinge proteins.
Science, 381, 2023
8FIH
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BU of 8fih by Molmil
Multi-state design of two-state switchable hinge proteins
Descriptor: 3hb05, PHOSPHATE ION
Authors:Bera, A.K, Broerman, A, Baker, D.
Deposit date:2022-12-16
Release date:2023-08-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design of stimulus-responsive two-state hinge proteins.
Science, 381, 2023

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