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7OPB
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BU of 7opb by Molmil
IL7R in complex with an antagonist
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, IL7R binder, ...
Authors:Markovic, I, Verschueren, K.H.G, Verstraete, K, Savvides, S.N.
Deposit date:2021-05-31
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.144 Å)
Cite:Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
4U81
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BU of 4u81 by Molmil
MEK1 Kinase bound to small molecule inhibitor G659
Descriptor: 8-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
Authors:Robarge, K.D, Ultsch, M.H, Weismann, C.
Deposit date:2014-07-31
Release date:2014-09-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
4U7Z
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BU of 4u7z by Molmil
Mitogen-Activated Protein Kinase Kinase (MEK1) bound to G805
Descriptor: 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
Authors:Robarge, K.D, Ultsch, M.H, Wiesmann, C.
Deposit date:2014-07-31
Release date:2014-09-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
4U80
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BU of 4u80 by Molmil
MEK 1 kinase bound to G799
Descriptor: 3-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
Authors:Ultsch, M.H, Robarge, K.D, Weismann, C.
Deposit date:2014-07-31
Release date:2014-09-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
6PZQ
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BU of 6pzq by Molmil
Structure of the human respiratory syncytial virus M2-1 protein in complex with a short positive-sense gene-end RNA
Descriptor: Matrix M2-1, RNA (5'-R(P*GP*UP*UP*AP*AP*U)-3'), ZINC ION
Authors:Gao, Y, Cao, D, Liang, B.
Deposit date:2019-08-01
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Structure of the Human Respiratory Syncytial Virus M2-1 Protein in Complex with a Short Positive-Sense Gene-End RNA.
Structure, 28, 2020
5WBH
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BU of 5wbh by Molmil
Structure of the FRB domain of mTOR bound to a substrate recruitment peptide of S6K1
Descriptor: Ribosomal protein S6 kinase beta-1, Serine/threonine-protein kinase mTOR
Authors:Pavletich, N.P, Yang, H.
Deposit date:2017-06-29
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
5WBY
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BU of 5wby by Molmil
Crystal structure of mTOR(deltaN)-mLST8-PRAS40(beta-strand) complex
Descriptor: Proline-rich AKT1 substrate 1, Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8
Authors:Pavletich, N.P, Yang, H.
Deposit date:2017-06-29
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
7N1J
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BU of 7n1j by Molmil
Crystal structure of FGFR4 domain 3 in complex with a de novo-designed mini-binder
Descriptor: Binder, Fibroblast growth factor receptor 4
Authors:Park, J.S, Lee, S.
Deposit date:2021-05-27
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
7N1K
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BU of 7n1k by Molmil
Crystal structure of a de novo-designed mini-protein targeting FGFR
Descriptor: Binder
Authors:Park, J.S, Lee, S.
Deposit date:2021-05-27
Release date:2022-04-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
7N3T
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BU of 7n3t by Molmil
TrkA ECD complex with designed miniprotein ligand
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Jude, K.M, Cao, L, Garcia, K.C.
Deposit date:2021-06-01
Release date:2022-04-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
5WBU
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BU of 5wbu by Molmil
Crystal structure of mTOR(deltaN)-mLST8-PRAS40(alpha-helix & beta-strand) complex
Descriptor: Proline-rich AKT1 substrate 1, Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8
Authors:Pavletich, N.P, Yang, H.
Deposit date:2017-06-29
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.42 Å)
Cite:Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
5WBL
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BU of 5wbl by Molmil
Crystal structure of the Arabidopsis thaliana Raptor in complex with the TOS peptide of human PRAS40
Descriptor: Proline-rich AKT1 substrate 1, Regulatory-associated protein of TOR 1
Authors:Pavletich, N.P, Jiang, X.
Deposit date:2017-06-29
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
5WBK
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BU of 5wbk by Molmil
Crystal structure of the arabidopsis thaliana Raptor in complex with the TOS peptide of human S6K1
Descriptor: Regulatory-associated protein of TOR 1, Ribosomal protein S6 kinase beta-1
Authors:Pavletich, N.P, Jiang, X.
Deposit date:2017-06-29
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
5WBI
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BU of 5wbi by Molmil
Crystal structure of the Arabidopsis thaliana Raptor
Descriptor: Regulatory-associated protein of TOR 1
Authors:Pavletich, N.P, Jiang, X.
Deposit date:2017-06-29
Release date:2017-12-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
5WBJ
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BU of 5wbj by Molmil
Crystal structure of the arabidopsis thaliana Raptor in complex with the TOS peptide of human 4EBP1
Descriptor: Eukaryotic translation initiation factor 4E-binding protein 1, Regulatory-associated protein of TOR 1
Authors:Pavletich, N.P, Jiang, X.
Deposit date:2017-06-29
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
7RDH
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BU of 7rdh by Molmil
Crystal structure of the de novo designed binding protein H3mb in complex with the 1968 influenza A virus hemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, De novo designed protein H3mb, ...
Authors:Kadam, R.U, Wilson, I.A.
Deposit date:2021-07-09
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
7S5B
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BU of 7s5b by Molmil
Unbound State of a De novo designed Protein Binder to the Human Interleukin-7 Receptor
Descriptor: Miniprotein Binder
Authors:Walsh, S.T.R, Cao, L, Baker, D.
Deposit date:2021-09-10
Release date:2022-05-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
6BCU
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BU of 6bcu by Molmil
Cryo-EM structure of the activated RHEB-mTORC1 refined to 3.4 angstrom
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E-binding protein 1, GTP-binding protein Rheb, ...
Authors:Pavletich, N.P, Yang, H.
Deposit date:2017-10-20
Release date:2017-12-20
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
6BCX
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BU of 6bcx by Molmil
mTORC1 structure refined to 3.0 angstroms
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E-binding protein 1, MAGNESIUM ION, ...
Authors:Pavletich, N.P, Yang, H.
Deposit date:2017-10-20
Release date:2017-12-20
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
8G0M
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BU of 8g0m by Molmil
Structure of complex between TV6.6 and CD98hc ECD
Descriptor: 1,2-ETHANEDIOL, 4F2 cell-surface antigen heavy chain, TETRAETHYLENE GLYCOL, ...
Authors:Kariolis, M.S, Lexa, K, Liau, N.P.D, Srivastava, D, Tran, H, Wells, R.C.
Deposit date:2023-01-31
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:CD98hc is a target for brain delivery of biotherapeutics.
Nat Commun, 14, 2023
6V0N
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BU of 6v0n by Molmil
PRMT5 bound to PBM peptide from Riok1
Descriptor: Methylosome protein 50, Protein arginine N-methyltransferase 5, Riok1 PBM peptide, ...
Authors:McMIllan, B.J, Raymond, D.D.
Deposit date:2019-11-19
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Molecular basis for substrate recruitment to the PRMT5 methylosome.
Mol.Cell, 81, 2021
6V0O
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BU of 6v0o by Molmil
PRMT5 bound to the PBM peptide from pICln
Descriptor: ACETYL GROUP, Methylosome protein 50, PBM peptide, ...
Authors:McMillan, B.J, Raymond, D.D.
Deposit date:2019-11-19
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Molecular basis for substrate recruitment to the PRMT5 methylosome.
Mol.Cell, 81, 2021
6VAJ
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BU of 6vaj by Molmil
Crystal Structure Analysis of human PIN1
Descriptor: 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ...
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2019-12-17
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Sulfopin is a covalent inhibitor of Pin1 that blocks Myc-driven tumors in vivo.
Nat.Chem.Biol., 17, 2021
4Z3C
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BU of 4z3c by Molmil
Zinc finger region of human TET3 in complex with CpG DNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*AP*CP*GP*TP*TP*GP*GP*C)-3'), Methylcytosine dioxygenase, UNKNOWN ATOM OR ION, ...
Authors:Liu, K, Xu, C, Tempel, W, Dong, A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2015-03-31
Release date:2015-04-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 2017
1C78
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BU of 1c78 by Molmil
STAPHYLOKINASE (SAK) DIMER
Descriptor: STAPHYLOKINASE
Authors:Rao, Z, Jiang, F, Liu, Y, Zhang, X, Chen, Y, Bartlam, M, Song, H, Ding, Y.
Deposit date:2000-02-01
Release date:2000-08-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a staphylokinase: variant a model for reduced antigenicity.
Eur.J.Biochem., 269, 2002

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