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6IX7
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BU of 6ix7 by Molmil
The structure of LepI C52A in complex with SAH and substrate analogue
分子名称: 1,2-ETHANEDIOL, 4-hydroxy-3-[(2S,6E,8E)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1H)-one, CHLORIDE ION, ...
著者Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J.
登録日2018-12-09
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.835 Å)
主引用文献Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI.
Nat.Chem., 11, 2019
4W9K
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BU of 4w9k by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-((S)-2-acetamido-3-phenylpropanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 14)
分子名称: N-acetyl-L-phenylalanyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
著者Gadd, M.S, Galdeano, C, van Molle, I, Ciulli, A.
登録日2014-08-27
公開日2014-09-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
4UXU
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BU of 4uxu by Molmil
Crystal Structure of the Extracellular Domain of the Human Alpha9 Nicotinic Acetylcholine Receptor In Complex with Methyllycaconitine
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Zouridakis, M, Giastas, P, Zarkadas, E, Tzartos, S.J.
登録日2014-08-27
公開日2014-10-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Crystal Structures of Free and Antagonist-Bound States of Human Alpha9 Nicotinic Receptor Extracellular Domain
Nat.Struct.Mol.Biol., 21, 2014
6JO2
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BU of 6jo2 by Molmil
Ferredoxin I from Thermosynechococcus elongatus
分子名称: BENZAMIDINE, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin-1, ...
著者Motomura, T.
登録日2019-03-19
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献An alternative plant-like cyanobacterial ferredoxin with unprecedented structural and functional properties.
Biochim Biophys Acta Bioenerg, 1860, 2019
4V5O
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BU of 4v5o by Molmil
CRYSTAL STRUCTURE OF THE EUKARYOTIC 40S RIBOSOMAL SUBUNIT IN COMPLEX WITH INITIATION FACTOR 1.
分子名称: 18S RRNA, 40S RIBOSOMAL PROTEIN S12, 40S RIBOSOMAL PROTEIN S3A, ...
著者Rabl, J, Leibundgut, M, Ataide, S.F, Haag, A, Ban, N.
登録日2010-11-26
公開日2014-07-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.93 Å)
主引用文献Crystal Structure of the Eukaryotic 40S Ribosomal Subunit in Complex with Initiation Factor 1.
Science, 331, 2011
6JJ1
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BU of 6jj1 by Molmil
Crystal structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii at 0.97 A resolution with disordered five N-terminal residues
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Peptidyl-tRNA hydrolase
著者Iqbal, N, Sharma, P, Chaudhary, A, Sharma, S, Singh, T.P.
登録日2019-02-24
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Crystal structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii at 0.97 A resolution with disordered five N-terminal residues
To Be Published
6JOJ
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Crystal structure of PDGFRA T674I in complex with crenolanib by soaking
分子名称: 1-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine, CHLORIDE ION, Platelet-derived growth factor receptor alpha, ...
著者Liang, L, Yan, X.E, Yun, C.H.
登録日2019-03-22
公開日2020-03-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of PDGFRA in complex with crenolanib by soaking
To Be Published
6JOO
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BU of 6joo by Molmil
Crystal structure of Corynebacterium diphtheriae Cas9 in complex with sgRNA and target DNA
分子名称: 1,2-ETHANEDIOL, CRISPR-associated protein,CRISPR-associated endonuclease Cas9, Guide RNA, ...
著者Hirano, S, Ishitani, R, Nishimasu, H, Nureki, O.
登録日2019-03-22
公開日2019-04-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for the promiscuous PAM recognition by Corynebacterium diphtheriae Cas9.
Nat Commun, 10, 2019
6IBX
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BU of 6ibx by Molmil
Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 5
分子名称: 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpiperidin-3-yl]pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ...
著者Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M.
登録日2018-12-01
公開日2019-01-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Bioorg. Med. Chem. Lett., 29, 2019
8XNO
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BU of 8xno by Molmil
Respiratory complex Peripheral Arm of CI, close form A, focus-refined map of type IA, Wild type mouse under Cold Acclimation
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Shin, Y.-C, Liao, M.
登録日2023-12-30
公開日2024-10-30
最終更新日2024-12-04
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis of respiratory complex adaptation to cold temperatures.
Cell, 187, 2024
8XNV
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BU of 8xnv by Molmil
Respiratory complex Peripheral Arm of CI, close form A, focus-refined map of type II, Wild type mouse under Cold Acclimation
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Shin, Y.-C, Liao, M.
登録日2023-12-30
公開日2024-10-30
最終更新日2024-12-04
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis of respiratory complex adaptation to cold temperatures.
Cell, 187, 2024
8XNQ
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BU of 8xnq by Molmil
Respiratory complex Peripheral Arm of CI, open form A, focus-refined map of type IA, Wild type mouse under Cold Acclimation
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Shin, Y.-C, Liao, M.
登録日2023-12-30
公開日2024-10-30
最終更新日2024-12-04
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis of respiratory complex adaptation to cold temperatures.
Cell, 187, 2024
4TVH
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BU of 4tvh by Molmil
HIV Protease (PR) dimer in closed form with TL-3 in active site and fragment AK-2097 in the outside/top of flap
分子名称: 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid, BETA-MERCAPTOETHANOL, Protease, ...
著者Tiefenbrunn, T, Kislukhin, A, Finn, M.G, Stout, C.D.
登録日2014-06-26
公開日2014-09-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.195 Å)
主引用文献Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease.
J.Phys.Chem.B, 119, 2015
6IHE
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BU of 6ihe by Molmil
Crystal structure of Malate dehydrogenase from Metallosphaera sedula
分子名称: 1,2-ETHANEDIOL, D-MALATE, DI(HYDROXYETHYL)ETHER, ...
著者Lee, D, Kim, K.J.
登録日2018-09-29
公開日2019-02-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure and biochemical characterization of malate dehydrogenase from Metallosphaera sedula
Biochem. Biophys. Res. Commun., 509, 2019
4U63
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BU of 4u63 by Molmil
Crystal structure of a bacterial class III photolyase from Agrobacterium tumefaciens at 1.67A resolution
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID, DNA photolyase, ...
著者Scheerer, P, Zhang, F, Kalms, J, von Stetten, D, Krauss, N, Oberpichler, I, Lamparter, T.
登録日2014-07-26
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献The Class III Cyclobutane Pyrimidine Dimer Photolyase Structure Reveals a New Antenna Chromophore Binding Site and Alternative Photoreduction Pathways.
J.Biol.Chem., 290, 2015
4UE7
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BU of 4ue7 by Molmil
Thrombin in complex with 1-amidinopiperidine
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Ruehmann, E, Heine, A, Klebe, G.
登録日2014-12-16
公開日2015-08-26
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.129 Å)
主引用文献Fragments Can Bind Either More Enthalpy or Entropy-Driven: Crystal Structures and Residual Hydration Pattern Suggest Why.
J.Med.Chem., 58, 2015
6ITM
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BU of 6itm by Molmil
Crystal structure of FXR in complex with agonist XJ034
分子名称: 1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone, Bile acid receptor, HD3 Peptide from Nuclear receptor coactivator 1
著者Zhang, H, Wang, Z.
登録日2018-11-23
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Pose Filter-Based Ensemble Learning Enables Discovery of Orally Active, Nonsteroidal Farnesoid X Receptor Agonists.
J.Chem.Inf.Model., 60, 2020
4UET
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BU of 4uet by Molmil
Diversity in the structures and ligand binding sites among the fatty acid and retinol binding proteins of nematodes revealed by Na-FAR-1 from Necator americanus
分子名称: NEMATODE FATTY ACID RETINOID BINDING PROTEIN
著者Rey-Burusco, M.F, Ibanez Shimabukuro, M, Griffiths, K, Cooper, A, Kennedy, M.W, Corsico, B, Smith, B.O, Griffiths, K.
登録日2014-12-18
公開日2015-09-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Diversity in the Structures and Ligand Binding Sites of Nematode Fatty Acid and Retinol Binding Proteins Revealed by Na-Far-1 from Necator Americanus.
Biochem.J., 471, 2015
4U5P
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BU of 4u5p by Molmil
Crystal structure of native RhCC (YP_702633.1) from Rhodococcus jostii RHA1 at 1.78 Angstrom
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MAGNESIUM ION, ...
著者Poddar, H, Rozeboom, H.J, Thunnissen, A.M.W.H.
登録日2014-07-25
公開日2015-02-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.782 Å)
主引用文献Functional and structural characterization of an unusual cofactor-independent oxygenase.
Biochemistry, 54, 2015
4U91
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GephE in complex with Para-Phenyl crosslinked Glycine receptor beta subunit derived dimeric peptide
分子名称: 1,1'-benzene-1,4-diylbis(1H-pyrrole-2,5-dione), 1,2-ETHANEDIOL, ACETATE ION, ...
著者Kasaragod, V.B, Maric, H.M, Schindelin, H.
登録日2014-08-05
公開日2014-12-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Synthesis of High-Affinity Dimeric Inhibitors Targeting the Interactions between Gephyrin and Inhibitory Neurotransmitter Receptors.
Angew.Chem.Int.Ed.Engl., 54, 2015
4UCT
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BU of 4uct by Molmil
Fragment bound to H.influenza NAD dependent DNA ligase
分子名称: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-amino-6-methyl-5-(propan-2-yloxy)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DNA LIGASE
著者Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A.
登録日2014-12-04
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
6IX5
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BU of 6ix5 by Molmil
The structure of LepI complex with SAM and its substrate analogue
分子名称: 1,2-ETHANEDIOL, 4-hydroxy-3-[(2S,6E,8E)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1H)-one, CHLORIDE ION, ...
著者Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J.
登録日2018-12-09
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI.
Nat.Chem., 11, 2019
6VFR
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BU of 6vfr by Molmil
Crystal structure of human protocadherin 18 EC1-EC4
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Harrison, O.J, Brasch, J, Shapiro, L.
登録日2020-01-06
公開日2020-03-11
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Family-wide Structural and Biophysical Analysis of Binding Interactions among Non-clustered delta-Protocadherins.
Cell Rep, 30, 2020
7VT7
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BU of 7vt7 by Molmil
Crystal structure of CBM deleted MtGlu5 in complex with CBI
分子名称: Endoglucanase H, GLYCEROL, TRYPTOPHAN, ...
著者Ye, T.J, Ko, P.T, Huang, K.F, Wu, S.H.
登録日2021-10-28
公開日2022-09-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Synergic action of an inserted carbohydrate-binding module in a glycoside hydrolase family 5 endoglucanase.
Acta Crystallogr D Struct Biol, 78, 2022
7W59
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The cryo-EM structure of human pre-C*-I complex
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent RNA helicase DHX8, ...
著者Zhan, X, Lu, Y, Shi, Y.
登録日2021-11-29
公開日2022-06-22
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Mechanism of exon ligation by human spliceosome.
Mol.Cell, 82, 2022

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