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8FC9
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BU of 8fc9 by Molmil
Cryo-EM structure of the human TRPV4 - RhoA, apo condition
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA, ...
Authors:Kwon, D.H, Lee, S.-Y, Zhang, F.
Deposit date:2022-12-01
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
8I0Q
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BU of 8i0q by Molmil
Structure of beta-arrestin1 in complex with a phosphopeptide corresponding to the human C-X-C chemokine receptor type 4, CXCR4 (Local refine)
Descriptor: Beta-arrestin-1, C-X-C chemokine receptor type 4, Fab30 Heavy Chain, ...
Authors:Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
Deposit date:2023-01-11
Release date:2023-05-17
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4.45 Å)
Cite:Structural snapshots uncover a key phosphorylation motif in GPCRs driving beta-arrestin activation.
Mol.Cell, 83, 2023
8FCB
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BU of 8fcb by Molmil
Cryo-EM structure of the human TRPV4 - RhoA in complex with GSK1016790A
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, CHOLESTEROL HEMISUCCINATE, N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, ...
Authors:Kwon, D.H, Lee, S.-Y, Zhang, F.
Deposit date:2022-12-01
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
8IG0
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BU of 8ig0 by Molmil
Crystal structure of menin in complex with DS-1594b
Descriptor: (1R,2S,4R)-4-[[4-(5,6-dimethoxypyridazin-3-yl)phenyl]methylamino]-2-[methyl-[6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentan-1-ol, DIMETHYL SULFOXIDE, Menin, ...
Authors:Suzuki, M, Yoneyama, T, Imai, E.
Deposit date:2023-02-20
Release date:2023-03-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A novel Menin-MLL1 inhibitor, DS-1594a, prevents the progression of acute leukemia with rearranged MLL1 or mutated NPM1.
Cancer Cell Int, 23, 2023
7OPM
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BU of 7opm by Molmil
Phosphorylated ERK2 in complex with ORF45
Descriptor: 1-[4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-1-phenylethyl]urea, GLYCEROL, Mitogen-activated protein kinase 1, ...
Authors:Sok, P, Remenyi, A, Alexa, A, Poti, A.
Deposit date:2021-06-01
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A non-catalytic herpesviral protein reconfigures ERK-RSK signaling by targeting kinase docking systems in the host.
Nat Commun, 13, 2022
4L8M
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BU of 4l8m by Molmil
Human p38 MAP kinase in complex with a Dibenzoxepinone
Descriptor: Mitogen-activated protein kinase 14, N-[2-fluoro-5-({9-[2-(morpholin-4-yl)ethoxy]-11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl}amino)phenyl]benzamide, octyl beta-D-glucopyranoside
Authors:Richters, A, Mayer-Wrangowski, S.C, Gruetter, C, Rauh, D.
Deposit date:2013-06-17
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Metabolically Stable Dibenzo[b,e]oxepin-11(6H)-ones as Highly Selective p38 MAP Kinase Inhibitors: Optimizing Anti-Cytokine Activity in Human Whole Blood.
J.Med.Chem., 56, 2013
8KHP
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BU of 8khp by Molmil
CULLIN3-KLHL22-RBX1 E3 ligase
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch-like protein 22
Authors:Su, M.-Y, Su, M.-Y.
Deposit date:2023-08-22
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Cryo-EM structure of the KLHL22 E3 ligase bound to an oligomeric metabolic enzyme.
Structure, 31, 2023
4RJF
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BU of 4rjf by Molmil
Crystal structure of the human sliding clamp at 2.0 angstrom resolution
Descriptor: Cyclin-dependent kinase inhibitor 1, Proliferating cell nuclear antigen
Authors:Kroker, A.J, Bruning, J.B.
Deposit date:2014-10-09
Release date:2015-08-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.0072 Å)
Cite:p21 Exploits Residue Tyr151 as a Tether for High-Affinity PCNA Binding.
Biochemistry, 54, 2015
2ZB1
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BU of 2zb1 by Molmil
Crystal structure of P38 in complex with biphenyl amide inhibitor
Descriptor: GLYCEROL, Mitogen-activated protein kinase 14, N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide
Authors:Somers, D.O.
Deposit date:2007-10-13
Release date:2008-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode
Bioorg.Med.Chem.Lett., 18, 2008
8VXQ
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BU of 8vxq by Molmil
Cryo-EM structure of phage DEV ejection proteins gp72:gp73
Descriptor: N4 gp52-like protein, gp72
Authors:Iglesias, S.M, Cingolani, G.
Deposit date:2024-02-05
Release date:2024-04-03
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Integrative structural analysis of Pseudomonas phage DEV reveals a genome ejection motor.
Res Sq, 2024
8I0N
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BU of 8i0n by Molmil
Structure of beta-arrestin1 in complex with a phosphopeptide corresponding to the human C5a anaphylatoxin chemotactic receptor 1, C5aR1 (Local refine)
Descriptor: Beta-arrestin-1, C5a anaphylatoxin chemotactic receptor 1, Fab30 heavy chain, ...
Authors:Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
Deposit date:2023-01-11
Release date:2023-05-17
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structural snapshots uncover a key phosphorylation motif in GPCRs driving beta-arrestin activation.
Mol.Cell, 83, 2023
2ZAZ
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BU of 2zaz by Molmil
Crystal structure of P38 in complex with 4-anilino quinoline inhibitor
Descriptor: 4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde, ACETATE ION, GLYCEROL, ...
Authors:Somers, D.O.
Deposit date:2007-10-12
Release date:2008-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode
Bioorg.Med.Chem.Lett., 18, 2008
5XXD
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BU of 5xxd by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 1
Descriptor: S-ADENOSYLMETHIONINE, Smyd3 methyltransferase, ZINC ION, ...
Authors:Baburajendran, N, Anna E, J.
Deposit date:2017-07-03
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.314 Å)
Cite:Crystal structure of SmyD3 in complex with covalent inhibitor 1
To Be Published
8K9I
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BU of 8k9i by Molmil
Structure of CUL3-RBX1-KLHL22 complex without CUL3 NA motif
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, N-terminally processed, ...
Authors:Wang, W, Ling, L, Dai, Z, Zuo, P, Yin, Y.
Deposit date:2023-08-01
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:A conserved N-terminal motif of CUL3 contributes to assembly and E3 ligase activity of CRL3 KLHL22.
Nat Commun, 15, 2024
8J8Z
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BU of 8j8z by Molmil
Structure of beta-arrestin1 in complex with D6Rpp
Descriptor: Atypical chemokine receptor 2, Beta-arrestin-1, Fab30 Heavy Chain, ...
Authors:Maharana, J, Sarma, P, Yadav, M.K, Chami, M, Banerjee, R, Shukla, A.K.
Deposit date:2023-05-02
Release date:2023-12-27
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular insights into atypical modes of beta-arrestin interaction with seven transmembrane receptors.
Science, 383, 2024
4J2X
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BU of 4j2x by Molmil
CSL (RBP-Jk) with corepressor KyoT2 bound to DNA
Descriptor: 1,2-ETHANEDIOL, 5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*AP*GP*T)-3', 5'-D(*TP*TP*AP*CP*TP*GP*TP*GP*GP*GP*AP*AP*AP*GP*A)-3', ...
Authors:Collins, K.J, Kovall, R.A.
Deposit date:2013-02-05
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure and Function of the CSL-KyoT2 Corepressor Complex: A Negative Regulator of Notch Signaling.
Structure, 22, 2014
3BX5
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BU of 3bx5 by Molmil
P38 alpha map kinase complexed with BMS-640994
Descriptor: Mitogen-activated protein kinase 14, N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide
Authors:Sack, J.S.
Deposit date:2008-01-11
Release date:2008-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The discovery of (R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl) thiazole-5-carboxamide (BMS-640994)-A potent and efficacious p38alpha MAP kinase inhibitor
Bioorg.Med.Chem.Lett., 18, 2008
6I5J
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BU of 6i5j by Molmil
Crystal structure of SOCS2:Elongin C:Elongin B in complex with growth hormone receptor peptide
Descriptor: COBALT (II) ION, Elongin-B, Elongin-C, ...
Authors:Kung, W.W, Ramachandran, S, Makukhin, N, Bruno, E, Ciulli, A.
Deposit date:2018-11-13
Release date:2019-05-29
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into substrate recognition by the SOCS2 E3 ubiquitin ligase.
Nat Commun, 10, 2019
2ZB0
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BU of 2zb0 by Molmil
Crystal structure of P38 in complex with biphenyl amide inhibitor
Descriptor: GLYCEROL, Mitogen-activated protein kinase 14, N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide
Authors:Somers, D.O.
Deposit date:2007-10-13
Release date:2008-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode
Bioorg.Med.Chem.Lett., 18, 2008
7KFU
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BU of 7kfu by Molmil
Cas6-RT-Cas1--Cas2 complex
Descriptor: Cas2, Cas6-RT-Cas1
Authors:Hoel, C.M, Wang, J.Y, Doudna, J.A, Brohawn, S.G.
Deposit date:2020-10-14
Release date:2021-03-31
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural coordination between active sites of a CRISPR reverse transcriptase-integrase complex.
Nat Commun, 12, 2021
7KFT
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BU of 7kft by Molmil
Partial Cas6-RT-Cas1--Cas2 complex
Descriptor: Cas2, Cas6-RT-Cas1
Authors:Hoel, C.M, Wang, J.Y, Doudna, J.A, Brohawn, S.G.
Deposit date:2020-10-14
Release date:2021-03-31
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural coordination between active sites of a CRISPR reverse transcriptase-integrase complex.
Nat Commun, 12, 2021
4KIP
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BU of 4kip by Molmil
Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with 2-(2-CHLOROPHENYL)-N-(5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)-1,3-THIAZOLE-5-CARBOXAMIDE
Descriptor: 2-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide, Mitogen-activated protein kinase 14
Authors:Sack, J.S, Tokarski, J.S.
Deposit date:2013-05-02
Release date:2013-06-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:The Identification of Novel P38-Alpha Isoform Selective Kinase Inhibitors Having an Unprecedented P38-Alpha Binding Mode
Bioorg.Med.Chem.Lett., 23, 2013
5D2M
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BU of 5d2m by Molmil
Complex between human SUMO2-RANGAP1, UBC9 and ZNF451
Descriptor: 1,2-ETHANEDIOL, Ran GTPase-activating protein 1, SUMO-conjugating enzyme UBC9, ...
Authors:Cappadocia, L, Lima, C.D.
Deposit date:2015-08-05
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for catalytic activation by the human ZNF451 SUMO E3 ligase.
Nat.Struct.Mol.Biol., 22, 2015
1M3Q
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BU of 1m3q by Molmil
Crystal Structure of hogg1 D268E Mutant with Base-Excised DNA and 8-aminoguanine
Descriptor: 5'-D(*GP*CP*GP*TP*CP*CP*AP*(DRZ)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 8-AMINOGUANINE, ...
Authors:Chung, S.J, Verdine, G.L.
Deposit date:2002-06-28
Release date:2004-02-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of End Products Resulting from Lesion Processing by a DNA Glycosylase/Lyase
Chem.Biol., 11, 2004
4KIN
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BU of 4kin by Molmil
Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with 5-(2-CHLOROPHENYL)-N-(5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)-2-THIOPHENECARBOXAMIDE
Descriptor: 5-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide, Mitogen-activated protein kinase 14
Authors:Sack, J.S, Tokarski, J.S.
Deposit date:2013-05-02
Release date:2013-06-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The Identification of Novel P38-Alpha Isoform Selective Kinase Inhibitors Having an Unprecedented P38-Alpha Binding Mode
Bioorg.Med.Chem.Lett., 23, 2013

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