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5E90
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BU of 5e90 by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D,I211V,Y249F, S280T,Y282F,S287N,A350C,L352F) IN COMPLEX WITH 3-AMINO-6- [4-(2-HYDROXYETHYL)PHENYL]-N-[4-(MORPHOLIN-4-YL)PYRIDIN-3-YL]PYRAZINE-2-CARBOXAMIDE
Descriptor: 3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-[4-(morpholin-4-yl)pyridin-3-yl]pyrazine-2-carboxamide, TGF-beta receptor type-1
Authors:Sheriff, S.
Deposit date:2015-10-14
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
5E92
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BU of 5e92 by Molmil
TGF-BETA RECEPTOR TYPE 2 KINASE DOMAIN (E431A,R433A,E485A,K488A,R493A,R495A) IN COMPLEX WITH AMPPNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, TGF-beta receptor type-2
Authors:Sheriff, S.
Deposit date:2015-10-14
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
5E8T
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BU of 5e8t by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D)
Descriptor: GLYCEROL, TGF-beta receptor type-1
Authors:Sheriff, S.
Deposit date:2015-10-14
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
5E8S
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BU of 5e8s by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (WT)
Descriptor: TGF-beta receptor type-1
Authors:Sheriff, S.
Deposit date:2015-10-14
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
5E8Z
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BU of 5e8z by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 3-AMINO-6-[4-(2-HYDROXYETHYL)PHENYL]-N-[4-(MORPHOLIN-4-YL)PYRIDIN-3-YL]PYRAZINE-2-CARBOXAMIDE
Descriptor: 3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-[4-(morpholin-4-yl)pyridin-3-yl]pyrazine-2-carboxamide, TGF-beta receptor type-1
Authors:Sheriff, S.
Deposit date:2015-10-14
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
5ES1
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BU of 5es1 by Molmil
CRYSTAL STRUCTURE OF MICROTUBULE AFFINITY-REGULATING KINASE 4 CATALYTIC DOMAIN IN COMPLEX WITH A PYRAZOLOPYRIMIDINE INHIBITOR
Descriptor: MAP/microtubule affinity-regulating kinase 4, ~{N}-[(1~{R},6~{R})-6-azanyl-2,2-bis(fluoranyl)cyclohexyl]-5-ethyl-4-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
Authors:Sack, J.S.
Deposit date:2015-11-16
Release date:2015-12-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of microtubule affinity-regulating kinase 4 catalytic domain in complex with a pyrazolopyrimidine inhibitor.
Acta Crystallogr F Struct Biol Commun, 72, 2016
7FIL
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BU of 7fil by Molmil
The cryo-EM structure of the NTD2 from the X. laevis Nup358
Descriptor: Nup358 complex, clamps
Authors:Shi, Y, Zhan, X, Huang, G.
Deposit date:2021-07-31
Release date:2022-06-01
Last modified:2022-06-29
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of the cytoplasmic ring of the Xenopus laevis nuclear pore complex.
Science, 376, 2022
7FIK
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BU of 7fik by Molmil
The cryo-EM structure of the CR subunit from X. laevis NPC
Descriptor: MGC154553 protein, MGC83295 protein, MGC83926 protein, ...
Authors:Shi, Y, Huang, G, Zhan, X.
Deposit date:2021-07-31
Release date:2022-11-09
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of the cytoplasmic ring of the Xenopus laevis nuclear pore complex.
Science, 376, 2022
7JOU
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BU of 7jou by Molmil
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 1 (ROCK1) IN COMPLEX WITH A PHENYLPYRAZOLE AMIDE INHIBITOR
Descriptor: N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide, Rho-associated protein kinase 1
Authors:Muckelbauer, J.K.
Deposit date:2020-08-07
Release date:2020-09-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.318 Å)
Cite:Discovery of a phenylpyrazole amide ROCK inhibitor as a tool molecule for in vivo studies.
Bioorg.Med.Chem.Lett., 30, 2020
7JOV
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BU of 7jov by Molmil
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH A PHENYLPYRAZOLE AMIDE INHIBITOR
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide, ...
Authors:Muckelbauer, J.K.
Deposit date:2020-08-07
Release date:2020-09-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.586 Å)
Cite:Discovery of a phenylpyrazole amide ROCK inhibitor as a tool molecule for in vivo studies.
Bioorg.Med.Chem.Lett., 30, 2020
6AZV
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BU of 6azv by Molmil
IDO1/BMS-978587 crystal structure
Descriptor: (1R,2S)-2-(4-[bis(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid, Indoleamine 2,3-dioxygenase 1
Authors:Lewis, H.A.
Deposit date:2017-09-13
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.755 Å)
Cite:Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6AZW
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BU of 6azw by Molmil
IDO1/FXB-001116 crystal structure
Descriptor: (2R)-N-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide, Indoleamine 2,3-dioxygenase 1
Authors:Lewis, H.A, Lammens, A, Steinbacher, S.
Deposit date:2017-09-13
Release date:2018-03-21
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6CND
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BU of 6cnd by Molmil
Yeast RNA polymerase III natural open complex (nOC)
Descriptor: DNA (71-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ...
Authors:Han, Y, He, Y.
Deposit date:2018-03-08
Release date:2018-08-22
Last modified:2020-01-08
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structural visualization of RNA polymerase III transcription machineries.
Cell Discov, 4, 2018
6CNB
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BU of 6cnb by Molmil
Yeast RNA polymerase III initial transcribing complex
Descriptor: DNA (71-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ...
Authors:Han, Y, He, Y.
Deposit date:2018-03-08
Release date:2018-08-22
Last modified:2020-01-08
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural visualization of RNA polymerase III transcription machineries.
Cell Discov, 4, 2018
7WB4
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BU of 7wb4 by Molmil
Cryo-EM structure of the NR subunit from X. laevis NPC
Descriptor: GATOR complex protein SEC13, MGC154553 protein, MGC83295 protein, ...
Authors:Huang, G, Zhan, X, Shi, Y.
Deposit date:2021-12-15
Release date:2022-03-02
Last modified:2022-04-20
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:Cryo-EM structure of the nuclear ring from Xenopus laevis nuclear pore complex.
Cell Res., 32, 2022
7WKK
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BU of 7wkk by Molmil
Cryo-EM structure of the IR subunit from X. laevis NPC
Descriptor: Aaas-prov protein, IL4I1 protein, MGC83295 protein, ...
Authors:Huang, G, Zhan, X, Shi, Y.
Deposit date:2022-01-10
Release date:2022-03-30
Last modified:2022-05-18
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM structure of the inner ring from the Xenopus laevis nuclear pore complex.
Cell Res., 32, 2022
7ZRV
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BU of 7zrv by Molmil
cryo-EM structure of omicron spike in complex with de novo designed binder, full map
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,Envelope glycoprotein, ...
Authors:Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C.
Deposit date:2022-05-05
Release date:2023-03-08
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
7ZSS
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BU of 7zss by Molmil
cryo-EM structure of D614 spike in complex with de novo designed binder
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:Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C.
Deposit date:2022-05-08
Release date:2023-03-01
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (2.63 Å)
Cite:De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
7ZSD
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BU of 7zsd by Molmil
cryo-EM structure of omicron spike in complex with de novo designed binder, local
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder
Authors:Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C.
Deposit date:2022-05-06
Release date:2023-03-01
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
7Y63
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BU of 7y63 by Molmil
ApoSIDT2-pH7.4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SID1 transmembrane family member 2, ...
Authors:Gong, D.S.
Deposit date:2022-06-18
Release date:2023-06-21
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structural insight into the human SID1 transmembrane family member 2 reveals its lipid hydrolytic activity.
Nat Commun, 14, 2023
7Y68
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BU of 7y68 by Molmil
SIDT2-pH5.5 plus miRNA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SID1 transmembrane family member 2, ...
Authors:Gong, D.S.
Deposit date:2022-06-18
Release date:2023-06-21
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Structural insight into the human SID1 transmembrane family member 2 reveals its lipid hydrolytic activity.
Nat Commun, 14, 2023
7Y69
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BU of 7y69 by Molmil
ApoSIDT2-pH5.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SID1 transmembrane family member 2, ...
Authors:Gong, D.S.
Deposit date:2022-06-18
Release date:2023-06-21
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structural insight into the human SID1 transmembrane family member 2 reveals its lipid hydrolytic activity.
Nat Commun, 14, 2023
6LR4
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BU of 6lr4 by Molmil
Molecular basis for inhibition of human gamma-secretase by small molecule
Descriptor: (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yang, G, Zhou, R, Guo, X, Lei, J, Shi, Y.
Deposit date:2020-01-15
Release date:2021-01-27
Last modified:2021-02-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of gamma-secretase inhibition and modulation by small molecule drugs.
Cell, 184, 2021
6LQG
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BU of 6lqg by Molmil
Human gamma-secretase in complex with small molecule Avagacestat
Descriptor: (2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yang, G, Zhou, R, Guo, X, Lei, J, Shi, Y.
Deposit date:2020-01-13
Release date:2021-01-27
Last modified:2021-02-03
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of gamma-secretase inhibition and modulation by small molecule drugs.
Cell, 184, 2021
6LXY
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BU of 6lxy by Molmil
IRAK4 in complex with inhibitor
Descriptor: Interleukin-1 receptor-associated kinase 4, N-[(2R)-2-fluoranyl-3-methyl-3-oxidanyl-butyl]-6-[(6-fluoranylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide, SULFATE ION
Authors:Ghosh, K, Bose, S.
Deposit date:2020-02-12
Release date:2020-11-25
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Optimization of Nicotinamides as Potent and Selective IRAK4 Inhibitors with Efficacy in a Murine Model of Psoriasis.
Acs Med.Chem.Lett., 11, 2020

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