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5NI5
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BU of 5ni5 by Molmil
Ligand complex of RORg LBD
Descriptor: Nuclear receptor ROR-gamma, SODIUM ION, tethered SRC2-2 peptide, ...
Authors:Xue, Y, Aagaard, A, Narjes, F.
Deposit date:2017-03-23
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design.
J. Med. Chem., 61, 2018
5MS2
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BU of 5ms2 by Molmil
Crystal structure of the Legionella pneumophila effector protein RavZ in complex with human LC3B
Descriptor: Legionella pneumophila effector protein RavZ, Microtubule-associated proteins 1A/1B light chain 3B
Authors:Pantoom, S, Vetter, I.R, Wu, Y.W.
Deposit date:2016-12-30
Release date:2017-04-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Elucidation of the anti-autophagy mechanism of the Legionella effector RavZ using semisynthetic LC3 proteins.
Elife, 6, 2017
6F3A
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BU of 6f3a by Molmil
Cryo-EM structure of a single dynein tail domain bound to dynactin and BICD2N
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ARP1 actin related protein 1 homolog A, ...
Authors:Urnavicius, L, Lau, C.K, Elshenawy, M.M, Morales-Rios, E, Motz, C, Yildiz, A, Carter, A.P.
Deposit date:2017-11-28
Release date:2018-01-17
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (8.2 Å)
Cite:Cryo-EM shows how dynactin recruits two dyneins for faster movement.
Nature, 554, 2018
4V8Z
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BU of 4v8z by Molmil
Cryo-EM reconstruction of the 80S-eIF5B-Met-itRNAMet Eukaryotic Translation Initiation Complex
Descriptor: 18S RIBOSOMAL RNA, 25S RIBOSOMAL RNA, 40S RIBOSOMAL PROTEIN S0-A, ...
Authors:Fernandez, I.S, Bai, X.C, Hussain, T, Kelley, A.C, Lorsch, J.R, Ramakrishnan, V, Scheres, S.H.W.
Deposit date:2013-07-20
Release date:2014-07-09
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Molecular architecture of a eukaryotic translational initiation complex.
Science, 342, 2013
9DLX
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BU of 9dlx by Molmil
Bovine Arp2/3 complex with N-WASP CA bound to Arp3 and Arp2-ArpC1
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin nucleation-promoting factor WASL, Actin-related protein 2, ...
Authors:Saks, A.J, Barrie, K.R, Dominguez, R.
Deposit date:2024-09-11
Release date:2025-02-12
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Arp 2/3 complex with bound NPFs
To Be Published
9DLZ
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BU of 9dlz by Molmil
Bovine Arp2/3 complex with N-WASP CA bound to Arp3
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 2, Actin-related protein 2/3 complex subunit 1A, ...
Authors:Saks, A.J, Barrie, K.R, Dominguez, R.
Deposit date:2024-09-11
Release date:2025-02-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Arp 2/3 complex with bound NPFs
To Be Published
4G01
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BU of 4g01 by Molmil
ARA7-GDP-Ca2+/VPS9a
Descriptor: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein RABF2b, ...
Authors:Ihara, K.
Deposit date:2012-07-09
Release date:2013-02-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Direct metal recognition by guanine nucleotide-exchange factor in the initial step of the exchange reaction
Acta Crystallogr.,Sect.D, 69, 2013
7SD0
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BU of 7sd0 by Molmil
Cryo-EM structure of the SHOC2:PP1C:MRAS complex
Descriptor: Leucine-rich repeat protein SHOC-2, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Liau, N.P.D, Johnson, M.C, Hymowitz, S.G, Sudhamsu, J.
Deposit date:2021-09-29
Release date:2022-04-20
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structural basis for SHOC2 modulation of RAS signalling.
Nature, 609, 2022
7S4A
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BU of 7s4a by Molmil
MRG15 complex with PALB2 peptide
Descriptor: Mortality factor 4-like protein 1, Partner and localizer of BRCA2
Authors:Korolev, S, Deveryshetty, J.
Deposit date:2021-09-08
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.693 Å)
Cite:Structural Insight into the Mechanism of PALB2 Interaction with MRG15.
Genes (Basel), 12, 2021
7OBD
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BU of 7obd by Molmil
Crystal structure of 14-3-3 sigma in complex with Phosphorylated and Farnesylated Rnd3 peptide and stabilizer Fusicoccin-A
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, FARNESYL, ...
Authors:Centorrino, F, Andlovic, B, Ottmann, C.
Deposit date:2021-04-21
Release date:2022-05-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBC
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BU of 7obc by Molmil
Crystal structure of 14-3-3 sigma in complex with Phosphorylated and Farnesylated Rnd3 peptide
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, FARNESYL, ...
Authors:Centorrino, F, Andlovic, B, Ottmann, C.
Deposit date:2021-04-21
Release date:2022-05-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
6R23
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BU of 6r23 by Molmil
The structure of a Ty3 retrotransposon capsid C-terminal domain dimer
Descriptor: Transposon Ty3-I Gag-Pol polyprotein
Authors:Dodonova, S.O, Prinz, S, Bilanchone, V, Sandmeyer, S, Briggs, J.A.G.
Deposit date:2019-03-15
Release date:2019-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Structure of the Ty3/Gypsy retrotransposon capsid and the evolution of retroviruses.
Proc.Natl.Acad.Sci.USA, 116, 2019
8BJJ
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BU of 8bjj by Molmil
ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin, bound to ATP-Mg-actin, human profilin 1 and a sulfate ion
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
Authors:Teixeira-Nunes, M, Renault, L, Retailleau, P.
Deposit date:2022-11-04
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin.
Plos Pathog., 19, 2023
7TVF
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BU of 7tvf by Molmil
Crystal structure of the SHOC2-MRAS-PP1CA (SMP) complex to a resolution of 2.17 Angstrom
Descriptor: CHLORIDE ION, GLYCEROL, Leucine-rich repeat protein SHOC-2, ...
Authors:Bonsor, D.A, Simanshu, D.K.
Deposit date:2022-02-04
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure of the SHOC2-MRAS-PP1C complex provides insights into RAF activation and Noonan syndrome.
Nat.Struct.Mol.Biol., 29, 2022
8POI
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BU of 8poi by Molmil
Molecular Docking of SPF30 Tudor domain with synthetic inhibitor 4-(pyridin-2-yl)thiazol-2-amine
Descriptor: 4-pyridin-2-yl-1,3-thiazol-2-amine, Survival of motor neuron-related-splicing factor 30
Authors:Borggraefe, J, Gaussmann, S, Sattler, M.
Deposit date:2023-07-04
Release date:2023-08-23
Last modified:2023-08-30
Method:SOLUTION NMR
Cite:Pharmacological perturbation of the phase-separating protein SMNDC1.
Nat Commun, 14, 2023
5XJD
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BU of 5xjd by Molmil
TEAD in complex with fragment
Descriptor: (2S)-2-phenyl-2-pyrrol-1-yl-ethanoic acid, Transcriptional enhancer factor TEF-3
Authors:Kaan, H.Y.K, Sim, A.Y.L, Tan, S.K.J, Verma, C, Song, H.
Deposit date:2017-05-01
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Targeting YAP/TAZ-TEAD protein-protein interactions using fragment-based and computational modeling approaches.
PLoS ONE, 12, 2017
7TXH
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BU of 7txh by Molmil
Human MRas Q71R in complex with human Shoc2 LRR domain M173I and human PP1Ca
Descriptor: GLYCEROL, Leucine-rich repeat protein SHOC-2, MAGNESIUM ION, ...
Authors:Hauseman, Z.J, Viscomi, J, Dhembi, A, Clark, K, King, D.A, Fodor, M.
Deposit date:2022-02-09
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of the MRAS-SHOC2-PP1C phosphatase complex.
Nature, 609, 2022
5U72
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BU of 5u72 by Molmil
Structure of human MR1-5OH-DCF in complex with human MAIT A-F7 TCR
Descriptor: 5-hydroxydiclofenac, ACETATE ION, Beta-2-microglobulin, ...
Authors:Keller, A.N, Rossjohn, J.
Deposit date:2016-12-10
Release date:2017-02-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:T-cell receptor complex
NAT.IMMUNOL., 2017
5JQ4
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BU of 5jq4 by Molmil
Structure of a GNAT acetyltransferase SACOL1063 from Staphylococcus aureus
Descriptor: 1,2-ETHANEDIOL, Acetyltransferase SACOL1063, CHLORIDE ION, ...
Authors:Majorek, K.A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-05-04
Release date:2016-06-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insight into the 3D structure and substrate specificity of previously uncharacterized GNAT superfamily acetyltransferases from pathogenic bacteria.
Biochim.Biophys.Acta, 1865, 2016
7XQE
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BU of 7xqe by Molmil
Crystal Structure of human RORgamma (C455E) LBD in complex with compound XY039
Descriptor: 2,4-difluoro-N-(1-((4-(trifluoromethyl)benzyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide, ETHANOL, GLYCEROL, ...
Authors:Wu, X, Li, C, Zhang, Y, Xu, Y.
Deposit date:2022-05-07
Release date:2023-05-31
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Discovery and pharmacological characterization of 1,2,3,4-tetrahydroquinoline derivatives as ROR gamma inverse agonists against prostate cancer.
Acta Pharmacol.Sin., 2024
6CKX
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BU of 6ckx by Molmil
Structure of CDK12/CycK in complex with a small molecule inhibitor N-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N-((1r,4r)-4-(quinazolin-2-ylamino)cyclohexyl)acetamide
Descriptor: Cyclin-K, Cyclin-dependent kinase 12, MAGNESIUM ION, ...
Authors:Klein, M.G.
Deposit date:2018-03-01
Release date:2018-08-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective Cyclin-Dependent Kinase 12 (CDK12) Inhibitors.
J. Med. Chem., 61, 2018
6TD3
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BU of 6td3 by Molmil
Structure of DDB1 bound to CR8-engaged CDK12-cyclinK
Descriptor: (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Bunker, R.D, Petzold, G, Kozicka, Z, Thoma, N.H.
Deposit date:2019-11-07
Release date:2020-06-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:The CDK inhibitor CR8 acts as a molecular glue degrader that depletes cyclin K.
Nature, 585, 2020
6NAD
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BU of 6nad by Molmil
Identification and biological evaluation of tertiary ALCOHOL-based inverse agonists of RORgt
Descriptor: (S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol, Nuclear receptor ROR-gamma
Authors:Spurlino, J, Milligan, C.
Deposit date:2018-12-05
Release date:2019-05-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.90197086 Å)
Cite:3-Substituted Quinolines as ROR gamma t Inverse Agonists.
Bioorg.Med.Chem.Lett., 29, 2019
6Y7G
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BU of 6y7g by Molmil
Structure of the human RAB3C in complex with GDP
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Diaz-Saez, L, Jung, S, Raux, B, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M, Structural Genomics Consortium (SGC)
Deposit date:2020-02-29
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the human RAB3C in complex with GDP
To Be Published
8BYN
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BU of 8byn by Molmil
Chronic traumatic encephalopathy tau filaments with PET ligand flortaucipir
Descriptor: 7-(6-fluoranylpyridin-3-yl)-5~{H}-pyrido[4,3-b]indole, Microtubule-associated protein tau
Authors:Shi, Y, Ghetti, B, Goedert, M, Scheres, S.H.W.
Deposit date:2022-12-13
Release date:2023-01-11
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Cryo-EM Structures of Chronic Traumatic Encephalopathy Tau Filaments with PET Ligand Flortaucipir.
J.Mol.Biol., 435, 2023

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