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8XF2
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BU of 8xf2 by Molmil
Crystal structure of the reassembled C-phycocyanin hexamer from Thermoleptolyngbya sp. O-77
Descriptor: C-phycocyanin alpha chain, C-phycocyanin beta chain, PHOSPHATE ION, ...
Authors:Nguyen, H.K, Teramoto, T, Kakuta, Y, Yoon, K.S.
Deposit date:2023-12-13
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Disassembly and reassembly of the non-conventional thermophilic C-phycocyanin.
J.Biosci.Bioeng., 137, 2024
8XF3
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BU of 8xf3 by Molmil
Crystal structure of the reassembled C-phycocyanin octamer from Thermoleptolyngbya sp. O-77
Descriptor: C-phycocyanin alpha chain, C-phycocyanin beta chain, PHOSPHATE ION, ...
Authors:Nguyen, H.K, Teramoto, T, Kakuta, Y, Yoon, K.S.
Deposit date:2023-12-13
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Disassembly and reassembly of the non-conventional thermophilic C-phycocyanin.
J.Biosci.Bioeng., 137, 2024
5HTI
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BU of 5hti by Molmil
Crystal structure of c-Met kinase domain in complex with LXM108
Descriptor: Hepatocyte growth factor receptor, N-[3-fluoro-4-({7-[2-(morpholin-4-yl)ethoxy]-1,6-naphthyridin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Authors:Liu, Q.F, Xu, Y.C.
Deposit date:2016-01-26
Release date:2017-02-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal structure of c-Met kinase domain in complex with LXM108
to be published
7SAG
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BU of 7sag by Molmil
Solution NMR structure of barrettide C
Descriptor: Barrettide C
Authors:Payne, C.D, Rosengren, K.J.
Deposit date:2021-09-22
Release date:2022-01-12
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Barrettides: A Peptide Family Specifically Produced by the Deep-Sea Sponge Geodia barretti .
J.Nat.Prod., 84, 2021
8S60
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BU of 8s60 by Molmil
Tankyrase 2 in complex with a quinazolin-4-one inhibitor
Descriptor: 8-nitro-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one, GLYCEROL, Poly [ADP-ribose] polymerase tankyrase-2, ...
Authors:Bosetti, C, Paakkonen, J, Lehtio, L.
Deposit date:2024-02-26
Release date:2025-03-12
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Substitutions at the C-8 position of quinazolin-4-ones improve the potency of nicotinamide site binding tankyrase inhibitors.
Eur.J.Med.Chem., 288, 2025
6YJC
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BU of 6yjc by Molmil
Crystal structure of p38alpha in complex with SR154
Descriptor: 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
Authors:Joerger, A.C, Schroeder, M, Roehm, S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-04-02
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.74100935 Å)
Cite:Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
1E2V
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BU of 1e2v by Molmil
N153Q mutant of cytochrome f from Chlamydomonas reinhardtii
Descriptor: ACETATE ION, CYTOCHROME F, HEME C
Authors:Sainz, G, Carrell, C.J, Ponamarev, M.V, Soriano, G.M, Cramer, W.A, Smith, J.L.
Deposit date:2000-05-29
Release date:2000-08-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Interruption of the Internal Water Chain of Cytochrome F Impairs Photosynthetic Function
Biochemistry, 39, 2000
1E2Z
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BU of 1e2z by Molmil
Q158L mutant of cytochrome f from Chlamydomonas reinhardtii
Descriptor: CYTOCHROME F, HEME C
Authors:Sainz, G, Carrell, C.J, Ponamarev, M.V, Soriano, G.M, Cramer, W.A, Smith, J.L.
Deposit date:2000-05-30
Release date:2000-08-04
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Interruption of the Internal Water Chain of Cytochrome F Impairs Photosynthetic Function
Biochemistry, 39, 2000
8W6Z
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BU of 8w6z by Molmil
Substrate-bound crystal structure of a P450 enzyme DmlH that catalyze intramolecular phenol coupling in the biosynthesis of cihanmycins
Descriptor: (E)-3-[2-[(2R,3S)-3-[(1R)-1-aminocarbonyloxypropyl]oxiran-2-yl]phenyl]prop-2-enoic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Fang, C, Zhang, L, Zhu, Y, Zhang, C.
Deposit date:2023-08-30
Release date:2024-06-12
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and Biosynthesis of Cihanmycins Reveal Cytochrome P450-Catalyzed Intramolecular C-O Phenol Coupling Reactions.
J.Am.Chem.Soc., 2024
4Y46
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BU of 4y46 by Molmil
Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) inhibitors
Descriptor: 1-{trans-4-[(8-cyclopentyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl}-3-propan-2-ylurea, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2015-02-10
Release date:2015-05-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) Inhibitors.
Acs Med.Chem.Lett., 6, 2015
8HAW
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BU of 8haw by Molmil
An auto-activation mechanism of plant non-specific phospholipase C
Descriptor: CALCIUM ION, GLYCEROL, Non-specific phospholipase C4, ...
Authors:Zhao, F, Fan, R.Y, Guan, Z.Y, Guo, L, Yin, P.
Deposit date:2022-10-26
Release date:2023-01-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights into the mechanism of phospholipid hydrolysis by plant non-specific phospholipase C.
Nat Commun, 14, 2023
8T3J
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BU of 8t3j by Molmil
Crystal structure of native exfoliative toxin C (ExhC) from Mammaliicoccus sciuri
Descriptor: Exfoliative toxin C
Authors:Calil, F.A, Gismene, C, Hernandez Gonzalez, J.E, Ziem Nascimento, A.F, Santisteban, A.R.N, Arni, R.K, Barros Mariutti, R.
Deposit date:2023-06-07
Release date:2023-11-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:Necrotic activity of ExhC from Mammaliicoccus sciuri is mediated by specific amino acid residues.
Int.J.Biol.Macromol., 254, 2024
6F4M
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BU of 6f4m by Molmil
Human JMJD5 in its apo form.
Descriptor: JmjC domain-containing protein 5
Authors:Chowdhury, R, Islam, M.S, Schofield, C.J.
Deposit date:2017-11-29
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.705 Å)
Cite:JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018
6QNO
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BU of 6qno by Molmil
Rhodopsin-Gi protein complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab antibody fragment heavy chain, Fab antibody fragment light chain, ...
Authors:Tsai, C.-J, Marino, J, Adaixo, R.J, Pamula, F, Muehle, J, Maeda, S, Flock, T, Taylor, N.M.I, Mohammed, I, Matile, H, Dawson, R.J.P, Deupi, X, Stahlberg, H, Schertler, G.F.X.
Deposit date:2019-02-11
Release date:2019-07-10
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (4.38 Å)
Cite:Cryo-EM structure of the rhodopsin-G alpha i-beta gamma complex reveals binding of the rhodopsin C-terminal tail to the G beta subunit.
Elife, 8, 2019
6NXK
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BU of 6nxk by Molmil
Ubiquitin binding variants
Descriptor: Anaphase-promoting complex subunit 2, Polyubiquitin-C
Authors:Miller, D.J, Watson, E.R.
Deposit date:2019-02-08
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Protein engineering of a ubiquitin-variant inhibitor of APC/C identifies a cryptic K48 ubiquitin chain binding site.
Proc.Natl.Acad.Sci.USA, 116, 2019
9GI9
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BU of 9gi9 by Molmil
Wildtype EGFR bound with (R)-3-((3-chloro-2-methoxyphenyl)amino)-2-(3-((tetrahydrofuran-2-yl)methoxy)pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
Descriptor: 3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[[(2~{R})-oxolan-2-yl]methoxy]pyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one, Epidermal growth factor receptor
Authors:Pagliarini, R.A, Henderson, J.A, Borrelli, D.R, Brooijmans, N, Hilbert, B.J, Huff, M.R, Ito, T, Kryukov, G.V, Ladd, B, Martin, B.R, Milgram, B.C, Motiwala, H, OHearn, E, Wang, W, Hata, A, Bellier, J, Kuzmic, P, Guzman-Perez, A, Jackson, E.L, Stuart, D.D.
Deposit date:2024-08-18
Release date:2025-05-14
Last modified:2025-06-11
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:STX-721, a Covalent EGFR/HER2 Exon 20 Inhibitor, Utilizes Exon 20-Mutant Dynamic Protein States and Achieves Unique Mutant Selectivity Across Human Cancer Models.
Clin.Cancer Res., 2025
6T6E
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BU of 6t6e by Molmil
Crystal Structure of the C-terminal domain of the HIV-1 Integrase (PNL4-3)
Descriptor: NICKEL (II) ION, Pol protein
Authors:Ruff, M, Negroni, M.
Deposit date:2019-10-18
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.302 Å)
Cite:NKNK: a New Essential Motif in the C-Terminal Domain of HIV-1 Group M Integrases.
J.Virol., 94, 2020
8QRI
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BU of 8qri by Molmil
TRRAP and EP400 in the human Tip60 complex
Descriptor: E1A-binding protein p400, Transformation/transcription domain-associated protein
Authors:Li, C, Smirnova, E, Schnitzler, C, Crucifix, C, Concordet, J.P, Brion, A, Poterszman, A, SChultz, P, Papai, G, Ben-Shem, A.
Deposit date:2023-10-09
Release date:2024-08-07
Last modified:2024-12-04
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of the human TIP60-C histone exchange and acetyltransferase complex.
Nature, 635, 2024
6XX3
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BU of 6xx3 by Molmil
Crystal structure of the c-Src SH3 domain H122R-Q128E mutant in complex with Cu(II) at pH 6.5 co-crystallized with methyl beta-cyclodextrin
Descriptor: COPPER (II) ION, Cyclic 2,3-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-2,6-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-3-O-methyl-alpha-D-glucopyranose, Proto-oncogene tyrosine-protein kinase Src
Authors:Camara-Artigas, A.
Deposit date:2020-01-26
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:The effect of an engineered ATCUN motif on the structure and biophysical properties of the SH3 domain of c-Src tyrosine kinase.
J.Biol.Inorg.Chem., 25, 2020
4Y5H
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BU of 4y5h by Molmil
Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) inhibitors
Descriptor: 1-(trans-4-{[7-oxo-8-(propan-2-yl)-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}cyclohexyl)-3-propan-2-ylurea, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2015-02-11
Release date:2015-05-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.055 Å)
Cite:Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) Inhibitors.
Acs Med.Chem.Lett., 6, 2015
6RQF
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BU of 6rqf by Molmil
3.6 Angstrom cryo-EM structure of the dimeric cytochrome b6f complex from Spinacia oleracea with natively bound thylakoid lipids and plastoquinone molecules
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
Authors:Malone, L.A, Qian, P, Mayneord, G.E, Hitchcock, A, Farmer, D, Thompson, R, Swainsbury, D.J.K, Ranson, N, Hunter, C.N, Johnson, M.P.
Deposit date:2019-05-15
Release date:2019-11-13
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Cryo-EM structure of the spinach cytochrome b6f complex at 3.6 angstrom resolution.
Nature, 575, 2019
7PPE
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BU of 7ppe by Molmil
CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 1
Descriptor: GLYCEROL, N-[4-[(4R)-4-methyl-1-(oxan-4-yl)-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Hillig, R.C.
Deposit date:2021-09-13
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
9CUV
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BU of 9cuv by Molmil
Solution Structure of the N-terminal signalling domain of Pseudomonas capferrum PupB
Descriptor: PupB N-terminal Signaling Domain
Authors:Morgan, D.M, Sultana, T, Colbert, C.L.
Deposit date:2024-07-26
Release date:2024-10-09
Method:SOLUTION NMR
Cite:Biophysical and Solution Structure Analysis of Critical Residues Involved in the Interaction between the PupB N-Terminal Signaling Domain and PupR C-Terminal Cell Surface Signaling Domain from Pseudomonas capeferrum.
Biomolecules, 14, 2024
6Y38
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BU of 6y38 by Molmil
Crystal structure of Whirlin PDZ3 in complex with Myosin 15a C-terminal PDZ binding motif peptide
Descriptor: Chains: C,D, Whirlin
Authors:Zhu, Y, Delhommel, F, Haouz, A, Caillet-Saguy, C, Vaney, M, Mechaly, A.E, Wolff, N.
Deposit date:2020-02-17
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.697 Å)
Cite:Deciphering the Unexpected Binding Capacity of the Third PDZ Domain of Whirlin to Various Cochlear Hair Cell Partners.
J.Mol.Biol., 432, 2020
4YO7
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BU of 4yo7 by Molmil
Crystal Structure of an ABC transporter solute binding protein (IPR025997) from Bacillus halodurans C-125 (BH2323, TARGET EFI-511484) with bound myo-inositol
Descriptor: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2015-03-11
Release date:2015-03-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of an ABC transporter solute binding protein (IPR025997) from Bacillus halodurans C-125 (BH2323, TARGET EFI-511484) with bound myo-inositol
To be published

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