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6N5A
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BU of 6n5a by Molmil
Crystal structure of an equine H7 hemagglutinin from A/equine/NY/49/73 (H7N7)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Zhu, X, Wilson, I.A.
登録日2018-11-21
公開日2019-06-26
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献N-Glycolylneuraminic Acid as a Receptor for Influenza A Viruses.
Cell Rep, 27, 2019
8BPI
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BU of 8bpi by Molmil
Human Gamma-D crystallin R36S mutant after UV illumination
分子名称: Gamma-crystallin D
著者Yorke, B.A, Hill, J.A.
登録日2022-11-16
公開日2023-11-29
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An ultraviolet-driven rescue pathway for oxidative stress to eye lens protein human gamma-D crystallin.
Commun Chem, 7, 2024
2I66
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BU of 2i66 by Molmil
Structural Basis for the Mechanistic Understanding Human CD38 Controlled Multiple Catalysis
分子名称: ADP-ribosyl cyclase 1, [(2R,3R,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4R,5S)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE, [(2R,3R,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
著者Liu, Q, Kriksunov, I.A, Graeff, R, Munshi, C, Lee, H.C, Hao, Q.
登録日2006-08-28
公開日2006-09-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for the mechanistic understanding of human CD38-controlled multiple catalysis.
J.Biol.Chem., 281, 2006
5KB5
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BU of 5kb5 by Molmil
Crystal structure of the adenosine kinase from Mus musculus in complex with adenosine and adenosine-diphosphate
分子名称: ADENOSINE, ADENOSINE-5'-DIPHOSPHATE, Adenosine kinase, ...
著者Oliveira, R.R, Neto, R.M, Polo, C.C, Tonoli, C.C.C, Murakami, M.T, Franchini, K.G.
登録日2016-06-02
公開日2017-06-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the adenosine kinase from Mus musculus in complex with adenosine and adenosine-diphosphate
To Be Published
5KC9
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BU of 5kc9 by Molmil
Crystal structure of the amino-terminal domain (ATD) of iGluR Delta-1 (GluD1)
分子名称: 1,2-ETHANEDIOL, 1,4-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Elegheert, J, Clay, J.E, Siebold, C, Aricescu, A.R.
登録日2016-06-05
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for integration of GluD receptors within synaptic organizer complexes.
Science, 353, 2016
6T0L
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BU of 6t0l by Molmil
Crystal structure of CYP124 in complex with inhibitor compound 5'
分子名称: CHLORIDE ION, CYP124 in complex with inhibitor compound 5', DI(HYDROXYETHYL)ETHER, ...
著者Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V.
登録日2019-10-03
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis.
J.Mol.Biol., 433, 2021
8BU0
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BU of 8bu0 by Molmil
Crystal structure of an 8 repeat consensus TPR superhelix with calcium
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Liutkus, M, Rojas, A.L, Cortajarena, A.L.
登録日2022-11-30
公開日2023-12-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Diverse crystalline protein scaffolds through metal-dependent polymorphism.
Protein Sci., 33, 2024
6SAC
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BU of 6sac by Molmil
N-terminal expression tag remainder of human Carbonic Anhydrase II covalently modified by fragment
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine, Carbonic anhydrase 2, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2019-07-16
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
8JV3
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BU of 8jv3 by Molmil
Structure of the SAR11 PotD in complex with glycine betaine
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Spermidine/putrescine-binding periplasmic protein, ...
著者Ma, Q, Liu, C.
登録日2023-06-27
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structure of the SAR11 PotD in complex with glycine betaine
To Be Published
7UQB
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BU of 7uqb by Molmil
Nucleoplasmic pre-60S intermediate of the Nog2 containing pre-rotation state from a SPB1-D52A strain with AlF4
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 25S rRNA, 5.8S rRNA, ...
著者Sekulski, K, Cruz, V.E, Weirich, C.S, Erzberger, J.P.
登録日2022-04-19
公開日2023-03-15
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.43 Å)
主引用文献rRNA methylation by Spb1 regulates the GTPase activity of Nog2 during 60S ribosomal subunit assembly.
Nat Commun, 14, 2023
8BBX
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BU of 8bbx by Molmil
Structure of prolyl endoprotease from Aspergillus niger CBS 109712 in space group C222(1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoprotease endo-Pro, TETRAETHYLENE GLYCOL, ...
著者Pijning, T, Vujicic-Zagar, A, Van der Laan, J.M, De Jong, R.M, Dijkstra, B.W.
登録日2022-10-14
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and time-resolved mechanistic investigations of protein hydrolysis by the acidic proline-specific endoprotease from Aspergillus niger.
Protein Sci., 33, 2024
8JV4
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BU of 8jv4 by Molmil
Structure of the SAR11 PotD in complex with DMSP
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(dimethyl-lambda~4~-sulfanyl)propanoic acid, GLYCEROL, ...
著者Ma, Q, Liu, C.
登録日2023-06-27
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.445 Å)
主引用文献Structure of the SAR11 PotD in complex with DMSP
To Be Published
8JV1
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BU of 8jv1 by Molmil
Structure of the SAR11 PotD in complex with GABA
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GAMMA-AMINO-BUTANOIC ACID, ...
著者Ma, Q, Liu, C.
登録日2023-06-27
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.309 Å)
主引用文献Structure of the SAR11 PotD in complex with GABA
To Be Published
8B57
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BU of 8b57 by Molmil
Structure of prolyl endoprotease from Aspergillus niger CBS 109712
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Pijning, T, Vujicic-Zagar, A, Van der Laan, J.M, De Jong, R.M, Dijkstra, B.W.
登録日2022-09-22
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural and time-resolved mechanistic investigations of protein hydrolysis by the acidic proline-specific endoprotease from Aspergillus niger.
Protein Sci., 33, 2024
6BXY
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BU of 6bxy by Molmil
Menin in complex with MI-1481
分子名称: 1,2-ETHANEDIOL, 4-methyl-1-{[(2S)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ...
著者Borkin, D, Klossowski, S, Pollock, J, Linhares, B, Cierpicki, T, Grembecka, J.
登録日2017-12-19
公開日2018-11-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Complexity of Blocking Bivalent Protein-Protein Interactions: Development of a Highly Potent Inhibitor of the Menin-Mixed-Lineage Leukemia Interaction.
J.Med.Chem., 61, 2018
8JV2
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BU of 8jv2 by Molmil
Structure of the SAR11 PotD in complex with proline
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, PROLINE, ...
著者Ma, Q, Liu, C.
登録日2023-06-27
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure of the SAR11 PotD in complex with proline
To Be Published
5JAU
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BU of 5jau by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
分子名称: (2S)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1H-pyrazol-1-yl)-2-methoxypropan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Day, P.J.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
6BZ2
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BU of 6bz2 by Molmil
Crystal structure of wild-type HIV-1 protease with a novel HIV-1 inhibitor GRL-14213A of 6-5-5-ring fused crown-like tetrahydropyranofuran as the P2-ligand, a cyclopropylaminobenzothiazole as the P2'-ligand and 3,5-difluorophenylmethyl as the P1-ligand
分子名称: (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ...
著者Wang, Y.-F, Agniswamy, J, Weber, I.T.
登録日2017-12-22
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Design of Highly Potent, Dual-Acting and Central-Nervous-System-Penetrating HIV-1 Protease Inhibitors with Excellent Potency against Multidrug-Resistant HIV-1 Variants.
ChemMedChem, 13, 2018
5JBG
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BU of 5jbg by Molmil
Crystal structure of chicken LGP2 with 5'ppp 26-mer hairpin RNA with 3' GG overhang and ADP-AlF4-Mg2+ at 2.0 A resolution.
分子名称: ADENOSINE-5'-DIPHOSPHATE, LGP2, MAGNESIUM ION, ...
著者Cusack, S, Uchikawa, E.
登録日2016-04-13
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Analysis of dsRNA Binding to Anti-viral Pattern Recognition Receptors LGP2 and MDA5.
Mol.Cell, 62, 2016
5JCP
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BU of 5jcp by Molmil
RhoGAP domain of ARAP3 in complex with RhoA in the transition state
分子名称: Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3,Linker,Transforming protein RhoA, GUANOSINE-5'-DIPHOSPHATE, ...
著者Bao, H, Li, F, Wang, C, Wang, N, Jiang, Y, Tang, Y, Wu, J, Shi, Y.
登録日2016-04-15
公開日2016-06-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for the Specific Recognition of RhoA by the Dual GTPase-activating Protein ARAP3
J.Biol.Chem., 291, 2016
6N94
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BU of 6n94 by Molmil
Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-amino(dethia)-CoA
分子名称: DI(HYDROXYETHYL)ETHER, IMIDAZOLE, Methylmalonyl-CoA decarboxylase, ...
著者Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R.
登録日2018-11-30
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies.
J. Am. Chem. Soc., 141, 2019
5JAO
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BU of 5jao by Molmil
Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered Through X-Ray Fragment Screening
分子名称: 2'-chloro-6-methyl[1,1'-biphenyl]-3-amine, CALCIUM ION, CHLORIDE ION, ...
著者Day, P.J.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
J.Med.Chem., 59, 2016
6QQC
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BU of 6qqc by Molmil
Cryogenic temperature structure of Hen Egg White Lysozyme recorded after an accumulated dose of 110 kGy
分子名称: CHLORIDE ION, Lysozyme C
著者Gotthard, G, Aumonier, S, Royant, A.
登録日2019-02-18
公開日2019-06-19
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Specific radiation damage is a lesser concern at room temperature.
Iucrj, 6, 2019
6IM3
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BU of 6im3 by Molmil
Crystal structure of a highly thermostable carbonic anhydrase from Persephonella marina EX-H1
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CALCIUM ION, Carbonic anhydrase (Carbonate dehydratase), ...
著者Jin, M.S, Kim, S, Sung, J, Yeon, J, Choi, S.H.
登録日2018-10-22
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of a Highly Thermostable alpha-Carbonic Anhydrase from Persephonella marina EX-H1.
Mol.Cells, 42, 2019
8I2B
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BU of 8i2b by Molmil
Human SIRT6 in complex with inhibitor 7702
分子名称: N1-[[4-(4-aminophenyl)sulfanyl-3-(trifluoromethyl)phenyl]methoxy]benzene-1,4-dicarboxamide, NAD-dependent protein deacylase sirtuin-6, SULFATE ION, ...
著者Wang, Y.
登録日2023-01-14
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The SIRT6 in complex with inhibitor 7702
To Be Published

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