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5QU7
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BU of 5qu7 by Molmil
Crystal Structure of swapped human Nck SH3.1 domain, 1.3A, orthorhombic form III
Descriptor: Cytoplasmic protein NCK1
Authors:Rudolph, M.G.
Deposit date:2019-12-13
Release date:2020-02-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Small molecule AX-024 reduces T cell proliferation independently of CD3ε/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain.
J.Biol.Chem., 295, 2020
5QU4
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BU of 5qu4 by Molmil
Crystal Structure of swapped human Nck SH3.1 domain, 1.05A, orthorhombic form I
Descriptor: Cytoplasmic protein NCK1
Authors:Rudolph, M.G.
Deposit date:2019-12-13
Release date:2020-02-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Small molecule AX-024 reduces T cell proliferation independently of CD3ε/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain.
J.Biol.Chem., 295, 2020
4AHG
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BU of 4ahg by Molmil
S28N - Angiogenin mutants and amyotrophic lateral sclerosis - a biochemical and biological analysis
Descriptor: ANGIOGENIN, D(-)-TARTARIC ACID
Authors:Thiyagarajan, N, Ferguson, R, Saha, S, Pham, T, Subramanian, V, Acharya, K.R.
Deposit date:2012-02-06
Release date:2012-10-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.448 Å)
Cite:Structural and Molecular Insights Into the Mechanism of Action of Human Angiogenin-Als Variants in Neurons.
Nat.Commun., 3, 2012
5QU6
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BU of 5qu6 by Molmil
Crystal Structure of swapped human Nck SH3.1 domain, 1.8A, triclinic
Descriptor: Cytoplasmic protein NCK1
Authors:Rudolph, M.G.
Deposit date:2019-12-13
Release date:2020-02-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.816 Å)
Cite:Small molecule AX-024 reduces T cell proliferation independently of CD3ε/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain.
J.Biol.Chem., 295, 2020
8SDW
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BU of 8sdw by Molmil
Crystal structure of the non-myristoylated mutant [L8K]Arf1 in complex with a GDP analogue
Descriptor: ADP-ribosylation factor 1, GUANOSINE-3'-MONOPHOSPHATE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Rosenberg Jr, E.M, Randazzo, P.A, Esser, L, Xia, D.
Deposit date:2023-04-07
Release date:2023-06-28
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Point mutations in Arf1 reveal cooperative effects of the N-terminal extension and myristate for GTPase-activating protein catalytic activity.
Plos One, 19, 2024
6KX2
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BU of 6kx2 by Molmil
Crystal structure of GDP bound RhoA protein
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA
Authors:Zhang, H, Luo, C.
Deposit date:2019-09-09
Release date:2020-08-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.454 Å)
Cite:Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
6KX3
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BU of 6kx3 by Molmil
Crystal structure of RhoA protein with covalent inhibitor DC-Rhoin
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate
Authors:Zhang, H, Luo, C.
Deposit date:2019-09-09
Release date:2020-08-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
8T2U
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BU of 8t2u by Molmil
Cryo-EM Structures of Full-length Integrin alphaIIbbeta3 in Native Lipids complexed with Eptifibatide
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:Adair, B, Xiong, J.P, Yeager, M, Arnaout, M.A.
Deposit date:2023-06-06
Release date:2023-07-26
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structures of full-length integrin alpha IIb beta 3 in native lipids.
Nat Commun, 14, 2023
8T2V
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BU of 8t2v by Molmil
Cryo-EM Structures of Full-length Integrin alphaIIbbeta3 in Native Lipids
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:Adair, B, Xiong, J.P, Yeager, M, Arnaout, M.A.
Deposit date:2023-06-06
Release date:2023-07-26
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structures of full-length integrin alpha IIb beta 3 in native lipids.
Nat Commun, 14, 2023
5L3T
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BU of 5l3t by Molmil
Structure of the Saccharomyces cerevisiae TREX-2 complex
Descriptor: 26S proteasome complex subunit SEM1, Nuclear mRNA export protein SAC3, Nuclear mRNA export protein THP1, ...
Authors:Stewart, M, Aibara, S.
Deposit date:2016-05-24
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (4.927 Å)
Cite:The Sac3 TPR-like region in the Saccharomyces cerevisiae TREX-2 complex is more extensive but independent of the CID region.
J. Struct. Biol., 195, 2016
5JCS
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BU of 5jcs by Molmil
CRYO-EM STRUCTURE OF THE RIX1-REA1 PRE-60S PARTICLE
Descriptor: 25S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Barrio-Garcia, C, Thoms, M, Flemming, D, Kater, L, Berninghausen, O, Bassler, J, Beckmann, R, Hurt, E.
Deposit date:2016-04-15
Release date:2016-11-16
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (9.5 Å)
Cite:Architecture of the Rix1-Rea1 checkpoint machinery during pre-60S-ribosome remodeling
Nat.Struct.Mol.Biol., 23, 2016
4AHL
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BU of 4ahl by Molmil
P112L - Angiogenin mutants and amyotrophic lateral sclerosis - a biochemical and biological analysis
Descriptor: ANGIOGENIN, L(+)-TARTARIC ACID
Authors:Thiyagarajan, N, Ferguson, R, Saha, S, Pham, T, Subramanian, V, Acharya, K.R.
Deposit date:2012-02-06
Release date:2012-10-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.053 Å)
Cite:Structural and Molecular Insights Into the Mechanism of Action of Human Angiogenin-Als Variants in Neurons.
Nat.Commun., 3, 2012
8T71
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BU of 8t71 by Molmil
Crystal Structure of WT KRAS4a with bound GDP and Mg ion
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K.
Deposit date:2023-06-19
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8T72
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BU of 8t72 by Molmil
Crystal structure of WT KRAS4a with bound GMPPNP and Mg ion
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K.
Deposit date:2023-06-19
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8T75
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BU of 8t75 by Molmil
Crystal Structure of KRAS4a (GMPPNP) in complex with RAF1 (RBD-CRD)
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Whitley, M.J, Simanshu, D.K.
Deposit date:2023-06-19
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8BL4
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BU of 8bl4 by Molmil
Cryo-EM structure of a contractile injection system in Streptomyces coelicolor, the sheath-tube module in extended state.
Descriptor: Phage tail protein, Phage tail sheath family protein
Authors:Casu, B, Sallmen, J.W, Schlimpert, S, Pilhofer, M.
Deposit date:2022-11-09
Release date:2023-03-15
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cytoplasmic contractile injection systems mediate cell death in Streptomyces.
Nat Microbiol, 8, 2023
8S3X
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BU of 8s3x by Molmil
LIM Domain Kinase 2 (LIMK2) bound to compound 52
Descriptor: 4-(5-cyclopropyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-~{N}-[3-(3-methoxyphenyl)phenyl]-3,6-dihydro-2~{H}-pyridine-1-carboxamide, LIM domain kinase 2
Authors:Mathea, S, Chatterjee, D, Preuss, F, Ple, K, Knapp, S.
Deposit date:2024-02-20
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:LIM Domain Kinase 2 (LIMK2) bound to compound 52
To Be Published
8T74
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BU of 8t74 by Molmil
Crystal structure of KRAS4a (GMPPNP) in complex with RAF1 (RBD)
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Whitley, M.J, Simanshu, D.K.
Deposit date:2023-06-19
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8SCZ
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BU of 8scz by Molmil
Cryo-EM structure of 14aa-GS RIG-I in complex with p3SLR30
Descriptor: Antiviral innate immune response receptor RIG-I, ZINC ION, p3SLR30
Authors:Wang, W, Pyle, A.M.
Deposit date:2023-04-06
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structure of 14aa-GS RIG-I in complex with p3SLR30
To Be Published
5J1H
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BU of 5j1h by Molmil
Structure of the spectrin repeats 5 and 6 of the plakin domain of plectin
Descriptor: Plectin,Plectin
Authors:Ortega, E, DE PEREDA, J.M.
Deposit date:2016-03-29
Release date:2016-07-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Structure of the Plakin Domain of Plectin Reveals an Extended Rod-like Shape.
J.Biol.Chem., 291, 2016
8SD0
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BU of 8sd0 by Molmil
Cryo-EM structure of RIG-I in complex with p3SLR14
Descriptor: Antiviral innate immune response receptor RIG-I, ZINC ION, p3SLR14
Authors:Wang, W, Pyle, A.M.
Deposit date:2023-04-06
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structure of RIG-I in complex with p3SLR14
To Be Published
5J1I
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BU of 5j1i by Molmil
Structure of the spectrin repeats 7, 8, and 9 of the plakin domain of plectin
Descriptor: Plectin
Authors:Ortega, E, DE PEREDA, J.M.
Deposit date:2016-03-29
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:The Structure of the Plakin Domain of Plectin Reveals an Extended Rod-like Shape.
J.Biol.Chem., 291, 2016
5SW8
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BU of 5sw8 by Molmil
Crystal structure of PI3Kalpha in complex with fragments 7 and 11
Descriptor: 2-CHLOROBENZENESULFONAMIDE, 2H-indazol-5-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M.
Deposit date:2016-08-08
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
5SWP
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BU of 5swp by Molmil
Crystal Structure of PI3Kalpha in complex with fragments 6 and 24
Descriptor: 2-methylcyclohexane-1,3-dione, CHLORIDE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
Authors:Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M.
Deposit date:2016-08-08
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
5SXD
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BU of 5sxd by Molmil
Crystal Structure of PI3Kalpha in complex with fragment 22
Descriptor: 2-methoxybenzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M.
Deposit date:2016-08-09
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017

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PDB entries from 2024-08-07

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