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4YM9
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BU of 4ym9 by Molmil
Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the novel inhibitor JM102
分子名称: 2-ethyl-2-(hydroxymethyl)-N-(6-methylpyridin-3-yl)butanamide, ACETATE ION, Chymotrypsin-like elastase family member 1, ...
著者Hofbauer, S, Brito, J.A, Mulchande, J, Nogly, P, Pessanha, M, Moreira, R, Archer, M.
登録日2015-03-06
公開日2016-06-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Clickable 4-Oxo-beta-lactam-Based Selective Probing for Human Neutrophil Elastase Related Proteomes.
ChemMedChem, 11, 2016
8UQE
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BU of 8uqe by Molmil
Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 26-residue linker (RING not modeled in density)
分子名称: E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E
著者Hu, Q, Botuyan, M.V, Mer, G.
登録日2023-10-23
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.562 Å)
主引用文献Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8UQB
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BU of 8uqb by Molmil
Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 20-residue linker (crystallization condition 1)
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, ZINC ION
著者Hu, Q, Botuyan, M.V, Mer, G.
登録日2023-10-23
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.484 Å)
主引用文献Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8UPF
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BU of 8upf by Molmil
Cryo-EM structure of the human nucleosome core particle in complex with RNF168-UbcH5c
分子名称: DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
著者Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G.
登録日2023-10-22
公開日2024-01-17
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8UQA
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BU of 8uqa by Molmil
Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 12-residue linker
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, SODIUM ION, ...
著者Hu, Q, Botuyan, M.V, Mer, G.
登録日2023-10-23
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.049 Å)
主引用文献Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8UQ8
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BU of 8uq8 by Molmil
Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 2-residue linker
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, GLYCEROL, ...
著者Hu, Q, Botuyan, M.V, Mer, G.
登録日2023-10-23
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8UQ9
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BU of 8uq9 by Molmil
Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 4-residue linker
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, GLYCEROL, ...
著者Hu, Q, Botuyan, M.V, Mer, G.
登録日2023-10-23
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8UQD
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BU of 8uqd by Molmil
Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 20-residue linker (condition 2. RING not modeled in density)
分子名称: E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E
著者Hu, Q, Botuyan, M.V, Mer, G.
登録日2023-10-23
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.893 Å)
主引用文献Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
8UQC
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BU of 8uqc by Molmil
Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 20-residue linker (crystallization condition 2)
分子名称: E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, ZINC ION
著者Hu, Q, Botuyan, M.V, Mer, G.
登録日2023-10-23
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
4NIE
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BU of 4nie by Molmil
Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with small molecule ligand
分子名称: 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, N-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ...
著者Ma, Y.L, Yang, L.Q.
登録日2013-11-06
公開日2013-12-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Discovery of Tertiary Amine and Indole Derivatives as Potent ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 5, 2014
3C45
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BU of 3c45 by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with a fluoroolefin inhibitor
分子名称: (2S,3S)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Edmondson, S.D, Weber, A.E.
登録日2008-01-29
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
6UN4
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BU of 6un4 by Molmil
Crystal structure of rsEGFP2, Y67(3-ClY), Y107(3-ClY)
分子名称: Green fluorescent protein, SULFATE ION
著者Lin, C.-Y, Romei, M.G, Boxer, S.G, Chang, J.
登録日2019-10-10
公開日2020-07-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Structural and spectroscopic characterization of photoactive yellow protein and photoswitchable fluorescent protein constructs containing heavy atoms.
J Photochem Photobiol A Chem, 401, 2020
7Y3G
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BU of 7y3g by Molmil
Cryo-EM structure of a class A orphan GPCR
分子名称: G-protein coupled receptor 12, 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, ...
著者Liu, Z.J, Hua, T, Li, H, Zhang, J.Y, Luo, F.
登録日2022-06-10
公開日2023-06-07
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献Structural insight into the constitutive activity of human orphan receptor GPR12.
Sci Bull (Beijing), 68, 2023
1GO1
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BU of 1go1 by Molmil
NMR Structure of Ribosomal Protein L30e from Thermococcus celer.
分子名称: 50S RIBOSOMAL PROTEIN L30E
著者Chan, S.-H, Bycroft, M, Freund, S.M.V, Wong, K.-B.
登録日2001-10-15
公開日2003-06-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution Structure and Thermal Stability of Ribosomal Protein L30E from Hyperthermophilic Archaeon Thermococcus Celer
Protein Sci., 12, 2003
7EL6
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BU of 7el6 by Molmil
Structure of SMCR8 bound FEM1B
分子名称: Protein fem-1 homolog B,Guanine nucleotide exchange protein SMCR8
著者Zhao, S, Xu, C.
登録日2021-04-08
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.802 Å)
主引用文献Structural insights into SMCR8 C-degron recognition by FEM1B.
Biochem.Biophys.Res.Commun., 557, 2021
4RSE
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BU of 4rse by Molmil
Crystal structure of RPE65 in complex with MB-001 and palmitate
分子名称: (1R)-3-amino-1-{3-[(2,6,6-trimethylcyclohex-1-en-1-yl)methoxy]phenyl}propan-1-ol, FE (II) ION, PALMITIC ACID, ...
著者Kiser, P.D, Shi, W, Palczewski, K.
登録日2014-11-07
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Catalytic mechanism of a retinoid isomerase essential for vertebrate vision.
Nat.Chem.Biol., 11, 2015
4LWV
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BU of 4lwv by Molmil
The 2.3A Crystal Structure of Humanized Xenopus MDM2 with RO5545353
分子名称: (2S,3R,4R,5R)-N-(4-carbamoyl-2-methoxyphenyl)-2'-chloro-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-5'-oxo-4',5'-dihydrospiro[pyrrolidine-3,6'-thieno[3,2-b]pyrrole]-5-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Graves, B.J, Lukacs, C, Janson, C.A.
登録日2013-07-28
公開日2014-07-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Discovery of Potent and Orally Active p53-MDM2 Inhibitors RO5353 and RO2468 for Potential Clinical Development.
ACS MED.CHEM.LETT., 5, 2014
2PPB
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BU of 2ppb by Molmil
Crystal structure of the T. thermophilus RNAP polymerase elongation complex with the ntp substrate analog and antibiotic streptolydigin
分子名称: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, DNA (5'-D(*AP*AP*CP*GP*CP*CP*AP*GP*AP*CP*AP*GP*GP*G)-3'), DNA (5'-D(P*CP*CP*CP*TP*GP*TP*CP*TP*GP*GP*CP*GP*TP*TP*CP*GP*CP*GP*CP*GP*CP*CP*G)-3'), ...
著者Vassylyev, D.G, Vassylyeva, M.N, Artsimovitch, I, Landick, R.
登録日2007-04-28
公開日2007-07-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for substrate loading in bacterial RNA polymerase.
Nature, 448, 2007
7YIM
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BU of 7yim by Molmil
Cryo-EM structure of human Alpha-fetoprotein
分子名称: Alpha-fetoprotein
著者Liu, N, Liu, K, Wu, C, Liu, Z, Li, M, Wang, J, Wang, H.W.
登録日2022-07-17
公開日2023-01-18
最終更新日2023-01-25
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Uniform thin ice on ultraflat graphene for high-resolution cryo-EM.
Nat.Methods, 20, 2023
7EJO
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BU of 7ejo by Molmil
Structure of ERH-2 bound to TOST-1
分子名称: Enhancer of rudimentary homolog 2, Enhancer of rudimentary homolog 2,Protein tost-1
著者Wang, X, Xu, C.
登録日2021-04-02
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.191 Å)
主引用文献Molecular basis for PICS-mediated piRNA biogenesis and cell division.
Nat Commun, 12, 2021
7E56
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BU of 7e56 by Molmil
The mutant crystal structure of endo-polygalacturonase (T316C/G344C) from Talaromyces leycettanus JCM 12802
分子名称: Endo-polygalacturonase
著者Tu, T, Luo, H, Yao, B.
登録日2021-02-17
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Cysteine Engineering of an Endo-polygalacturonase from Talaromyces leycettanus JCM 12802 to Improve Its Thermostability.
J.Agric.Food Chem., 69, 2021
7EJS
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BU of 7ejs by Molmil
Structure of ERH-2 bound to PICS-1
分子名称: Enhancer of rudimentary homolog 2,Protein pid-3
著者Wang, X, Xu, C.
登録日2021-04-02
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.387 Å)
主引用文献Molecular basis for PICS-mediated piRNA biogenesis and cell division.
Nat Commun, 12, 2021
4O1V
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BU of 4o1v by Molmil
SPOP Promotes Tumorigenesis by Acting as a Key Regulatory Hub in Kidney Cancer
分子名称: Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, Speckle-type POZ protein
著者Calabrese, M.F, Watson, E.R, Schulman, B.A.
登録日2013-12-16
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献SPOP Promotes Tumorigenesis by Acting as a Key Regulatory Hub in Kidney Cancer.
Cancer Cell, 25, 2014
7X78
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BU of 7x78 by Molmil
L-fuculose 1-phosphate aldolase
分子名称: L-fuculose phosphate aldolase, MAGNESIUM ION, SULFATE ION
著者Lou, X, Zhang, Q, Bartlam, M.
登録日2022-03-09
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural characterization of an L-fuculose-1-phosphate aldolase from Klebsiella pneumoniae.
Biochem.Biophys.Res.Commun., 607, 2022
2F1G
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BU of 2f1g by Molmil
Cathepsin S in complex with non-covalent 2-(Benzoxazol-2-ylamino)-acetamide
分子名称: Cathepsin S, GLYCEROL, N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE
著者Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S, Kulathila, R, Clark, K.
登録日2005-11-14
公開日2006-04-04
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis and evaluation of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 3: Heterocyclic P3.
Bioorg.Med.Chem.Lett., 16, 2006

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