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7YEP
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BU of 7yep by Molmil
2-APB bound state of mTRPV2
Descriptor: 2-aminoethyl diphenylborinate, Transient receptor potential cation channel subfamily V member 2
Authors:Su, N.
Deposit date:2022-07-06
Release date:2022-08-17
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
5WC9
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BU of 5wc9 by Molmil
Human Pit-1 and 4xCATT DNA complex
Descriptor: DNA (5'-D(*CP*CP*AP*TP*TP*CP*AP*TP*TP*CP*AP*TP*TP*CP*AP*TP*TP*CP*GP*GP*A)-3'), DNA (5'-D(*CP*CP*GP*AP*AP*TP*GP*AP*AP*TP*GP*AP*AP*TP*GP*AP*AP*TP*GP*GP*T)-3'), Pituitary-specific positive transcription factor 1
Authors:Agarwal, S, Cho, T.Y.
Deposit date:2017-06-29
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Biochemical and structural characterization of a novel cooperative binding mode by Pit-1 with CATT repeats in the macrophage migration inhibitory factor promoter.
Nucleic Acids Res., 46, 2018
7YU5
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BU of 7yu5 by Molmil
Human Lysophosphatidic Acid Receptor 1-Gi complex bound to ONO-0740556, state1
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Akasaka, H, Shihoya, W, Nureki, O.
Deposit date:2022-08-16
Release date:2022-10-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of the active G i -coupled human lysophosphatidic acid receptor 1 complexed with a potent agonist.
Nat Commun, 13, 2022
7YU6
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BU of 7yu6 by Molmil
Human Lysophosphatidic Acid Receptor 1-Gi complex bound to ONO-0740556, state2
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Akasaka, H, Shihoya, W, Nureki, O.
Deposit date:2022-08-16
Release date:2022-10-05
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of the active G i -coupled human lysophosphatidic acid receptor 1 complexed with a potent agonist.
Nat Commun, 13, 2022
7YU3
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BU of 7yu3 by Molmil
Human Lysophosphatidic Acid Receptor 1-Gi complex bound to ONO-0740556
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Akasaka, H, Shihoya, W, Nureki, O.
Deposit date:2022-08-16
Release date:2022-10-05
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of the active G i -coupled human lysophosphatidic acid receptor 1 complexed with a potent agonist.
Nat Commun, 13, 2022
7YU8
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BU of 7yu8 by Molmil
Human Lysophosphatidic Acid Receptor 1-Gi complex bound to ONO-0740556, state4
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Akasaka, H, Shihoya, W, Nureki, O.
Deposit date:2022-08-16
Release date:2022-10-05
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structure of the active G i -coupled human lysophosphatidic acid receptor 1 complexed with a potent agonist.
Nat Commun, 13, 2022
7YU4
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BU of 7yu4 by Molmil
Human Lysophosphatidic Acid Receptor 1-Gi complex bound to ONO-0740556, focused on receptor
Descriptor: Lysophosphatidic acid receptor 1, [(2~{R})-2-[5-(2-hexylphenyl)pentanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
Authors:Akasaka, H, Shihoya, W, Nureki, O.
Deposit date:2022-08-16
Release date:2022-10-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of the active G i -coupled human lysophosphatidic acid receptor 1 complexed with a potent agonist.
Nat Commun, 13, 2022
7YU7
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BU of 7yu7 by Molmil
Human Lysophosphatidic Acid Receptor 1-Gi complex bound to ONO-0740556, state3
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Akasaka, H, Shihoya, W, Nureki, O.
Deposit date:2022-08-16
Release date:2022-10-05
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structure of the active G i -coupled human lysophosphatidic acid receptor 1 complexed with a potent agonist.
Nat Commun, 13, 2022
5YVL
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BU of 5yvl by Molmil
Crystal structure of a cyclase Hpiu5 from Fischerella sp. ATCC 43239
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, cyclase
Authors:Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2017-11-26
Release date:2018-11-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.059 Å)
Cite:The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
5ZAF
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BU of 5zaf by Molmil
uPA-BB2-28F
Descriptor: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B
Authors:Buckley, B.J, Jiang, L.G, Huang, M.D, Kelso, M.J, Ranson, M.
Deposit date:2018-02-07
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
5Y2B
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BU of 5y2b by Molmil
Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 1 in complex with HEPTA-N-ACETYLCHITOOCTAOSE (NAG)7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, insect group II chitinase
Authors:Chen, W, Qu, M.B, Zhou, Y, Yang, Q.
Deposit date:2017-07-24
Release date:2018-01-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of group II chitinase (ChtII) catalysis completes the puzzle of chitin hydrolysis in insects
J. Biol. Chem., 293, 2018
5Y2C
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BU of 5y2c by Molmil
Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 2 E2180L mutant in complex with PENTA-N-ACETYLCHITOOCTAOSE (NAG)5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, insect group II chitinase
Authors:Chen, W, Qu, M.B, Zhou, Y, Yang, Q.
Deposit date:2017-07-24
Release date:2018-01-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural analysis of group II chitinase (ChtII) catalysis completes the puzzle of chitin hydrolysis in insects
J. Biol. Chem., 293, 2018
7Z36
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BU of 7z36 by Molmil
Crystal structure of the KAP1 tripartite motif in complex with the ZNF93 KRAB domain
Descriptor: Endolysin,Transcription intermediary factor 1-beta,Isoform 2 of Transcription intermediary factor 1-beta, SMARCAD1 CUE1 domain, ZINC ION, ...
Authors:Stoll, G.A, Modis, Y.
Deposit date:2022-03-01
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and functional mapping of the KRAB-KAP1 repressor complex.
Embo J., 41, 2022
5XYM
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BU of 5xym by Molmil
Large subunit of Mycobacterium smegmatis
Descriptor: 23S RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Li, Z, Ge, X, Zhang, Y, Zheng, L, Sanyal, S, Gao, N.
Deposit date:2017-07-09
Release date:2017-09-27
Last modified:2018-04-11
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Cryo-EM structure of Mycobacterium smegmatis ribosome reveals two unidentified ribosomal proteins close to the functional centers.
Protein Cell, 9, 2018
5X7B
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BU of 5x7b by Molmil
Crystal structure of SHP2_SH2-CagA EPIYA_C peptide complex
Descriptor: CagA, Tyrosine-protein phosphatase non-receptor type 11
Authors:Senda, M, Senda, T.
Deposit date:2017-02-24
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Differential Mechanisms for SHP2 Binding and Activation Are Exploited by Geographically Distinct Helicobacter pylori CagA Oncoproteins.
Cell Rep, 20, 2017
7ZAK
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BU of 7zak by Molmil
Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ...
Authors:Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D.
Deposit date:2022-03-22
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes.
Immunity, 56, 2023
5ZJ6
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BU of 5zj6 by Molmil
Crystal structure of HCK kinase complexed with a pyrrolo-pyrimidine inhibitor 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Descriptor: 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Tyrosine-protein kinase HCK
Authors:Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M.
Deposit date:2018-03-19
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Phosphorylated and non-phosphorylated HCK kinase domains produced by cell-free protein expression.
Protein Expr. Purif., 150, 2018
3D6M
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BU of 3d6m by Molmil
Crystal structure of human caspase-1 with a naturally-occurring Lys319->Arg substitution in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Rosen-Wolff, A, Roesler, J, Romanowski, M.J.
Deposit date:2008-05-19
Release date:2010-03-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mutated, structurally altered caspase-1 with decreased enzymatic and increased RIP2-meditated inflammatory activity leads to a new type of periodic fever (ICE fever).
To be Published, 2008
3CFM
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BU of 3cfm by Molmil
Crystal structure of the apo form of human wild-type transthyretin
Descriptor: Transthyretin
Authors:Lima, L.-M.T.R, Foguel, D, Polikarpov, I.
Deposit date:2008-03-04
Release date:2009-03-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of a novel ligand binding motif in the transthyretin channel.
Bioorg.Med.Chem., 18, 2010
6DRJ
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BU of 6drj by Molmil
Structure of TRPM2 ion channel receptor by single particle electron cryo-microscopy, ADPR/Ca2+ bound state
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, CALCIUM ION, Transient receptor potential cation channel, ...
Authors:Du, J, Lu, W, Huang, Y, Winkler, P, Sun, W.
Deposit date:2018-06-12
Release date:2018-09-19
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Architecture of the TRPM2 channel and its activation mechanism by ADP-ribose and calcium.
Nature, 562, 2018
3CJK
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BU of 3cjk by Molmil
Crystal structure of the adduct HAH1-Cd(II)-MNK1.
Descriptor: CADMIUM ION, Copper transport protein ATOX1, Copper-transporting ATPase 1
Authors:Banci, L, Bertini, I, Calderone, V, Felli, I, Della-Malva, N, Pavelkova, A, Rosato, A.
Deposit date:2008-03-13
Release date:2008-12-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Copper(I)-mediated protein-protein interactions result from suboptimal interaction surfaces.
Biochem.J., 422, 2009
3CMF
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BU of 3cmf by Molmil
Crystal structure of human liver 5beta-reductase (AKR1D1) in complex with NADP and CORTISONE. Resolution 1.90 A.
Descriptor: 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, 3-oxo-5-beta-steroid 4-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Di Costanzo, L, Drury, J, Penning, T.M, Christianson, D.W.
Deposit date:2008-03-21
Release date:2008-04-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis.
J.Biol.Chem., 283, 2008
3CNK
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BU of 3cnk by Molmil
Crystal Structure of the dimerization domain of human filamin A
Descriptor: Filamin-A, SULFATE ION
Authors:Lee, B.J, Seo, M.D, Seok, S.H, Lee, S.J, Kwon, A.R, Im, H.
Deposit date:2008-03-26
Release date:2009-02-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the dimerization domain of human filamin A
Proteins, 75, 2008
3CNQ
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BU of 3cnq by Molmil
Prosubtilisin Substrate Complex of Subtilisin SUBT_BACAM
Descriptor: Subtilisin BPN', ZINC ION
Authors:Gallagher, D.T, Bryan, P.N.
Deposit date:2008-03-26
Release date:2008-05-06
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Engineering substrate preference in subtilisin: structural and kinetic analysis of a specificity mutant.
Biochemistry, 47, 2008
3CP9
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BU of 3cp9 by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a pyridone inhibitor
Descriptor: 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one, Vascular endothelial growth factor receptor 2
Authors:Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H.
Deposit date:2008-03-31
Release date:2008-06-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit.
J.Med.Chem., 51, 2008

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