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7G1B
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BU of 7g1b by Molmil
Crystal Structure of human FABP4 in complex with 2-[1-[(3-chlorophenyl)methyl]indol-2-yl]cyclopropane-1-carboxylic acid, i.e. SMILES C1(=Cc2c(N1Cc1cc(ccc1)Cl)cccc2)[C@H]1[C@@H](C1)C(=O)O with IC50=0.155 microM
分子名称: (1S,2S)-2-{1-[(3-chlorophenyl)methyl]-1H-indol-2-yl}cyclopropane-1-carboxylic acid, Fatty acid-binding protein, adipocyte
著者Ehler, A, Benz, J, Obst, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2025-08-13
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands.
Acta Crystallogr D Struct Biol, 81, 2025
4ZEJ
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BU of 4zej by Molmil
Crystal Structure of DIM-1 Metallo-beta-Lactamase exposed to Ceftazidime
分子名称: CHLORIDE ION, Metallo-beta-lactamase, ZINC ION
著者Booth, M.P.S, Kosmopoulou, M, Spencer, J.
登録日2015-04-20
公開日2015-05-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal Stricture of DIM-1 Metallo-beta-Lactamase
To Be Published
1WYP
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BU of 1wyp by Molmil
Solution structure of the CH domain of human Calponin 1
分子名称: Calponin 1
著者Tomizawa, T, Kigawa, T, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-02-15
公開日2005-08-15
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the CH domain of human Calponin 1
To be Published
6FTR
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BU of 6ftr by Molmil
Serial Femtosecond Crystallography at Megahertz pulse rates
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Wiedorn, M.O, Oberthuer, D, Barty, A, Chapman, H.N.
登録日2018-02-23
公開日2018-10-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.76000106 Å)
主引用文献Megahertz serial crystallography.
Nat Commun, 9, 2018
6D1E
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BU of 6d1e by Molmil
Crystal structure of NDM-1 complexed with compound 7
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6D1F
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BU of 6d1f by Molmil
Crystal structure of NDM-1 complexed with compound 8
分子名称: ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ...
著者Pemberton, O.A, Chen, Y.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
7FWL
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BU of 7fwl by Molmil
Crystal Structure of human FABP4 in complex with 5-[(3,4-dichlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one, i.e. SMILES c1(cc(c(cc1)Cl)Cl)CN1CC(=O)NS1(=O)=O with IC50=0.466 microM
分子名称: 5-[(3,4-dichlorophenyl)methyl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2025-08-13
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands.
Acta Crystallogr D Struct Biol, 81, 2025
9F1C
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BU of 9f1c by Molmil
Mammalian quaternary complex of a translating 80S ribosome, NAC, MetAP1 and NatA/E
分子名称: 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ...
著者Yudin, D, Scaiola, A, Ban, N.
登録日2024-04-18
公開日2024-08-21
最終更新日2024-10-02
実験手法ELECTRON MICROSCOPY (3.78 Å)
主引用文献NAC guides a ribosomal multienzyme complex for nascent protein processing.
Nature, 633, 2024
7FXU
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BU of 7fxu by Molmil
Crystal Structure of human FABP4 in complex with 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid, i.e. SMILES C1(=C(C)C(=C(S1)NC(=O)C1=C(CCC1)C(=O)O)C1=NC(=NO1)C1CC1)C with IC50=0.00967858 microM
分子名称: 2-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Ehler, A, Benz, J, Obst, U, Richter, H, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2025-08-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands.
Acta Crystallogr D Struct Biol, 81, 2025
9F1D
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BU of 9f1d by Molmil
Mammalian quaternary complex of a translating 80S ribosome, NAC, MetAP1 and NatA/E-HYPK
分子名称: 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ...
著者Yudin, D, Scaiola, A, Ban, N.
登録日2024-04-18
公開日2024-08-21
最終更新日2024-10-02
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献NAC guides a ribosomal multienzyme complex for nascent protein processing.
Nature, 633, 2024
4CS2
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BU of 4cs2 by Molmil
Catalytic domain of Pyrrolysyl-tRNA synthetase mutant Y306A, Y384F in its apo form
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PYRROLYSINE--TRNA LIGASE
著者Schmidt, M.J, Weber, A, Pott, M, Welte, W, Summerer, D.
登録日2014-03-04
公開日2014-04-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis of Furan-Amino Acid Recognition by a Polyspecific Aminoacyl-tRNA-Synthetase and its Genetic Encoding in Human Cells.
Chembiochem, 15, 2014
5VR7
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BU of 5vr7 by Molmil
ABA-mimicking ligand AMF1alpha in complex with ABA receptor PYL2 and PP2C HAB1
分子名称: 1-(2-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ...
著者Cao, M.-J, Zhang, Y.-L, Liu, X, Huang, H, Zhou, X.E, Wang, W.-L, Zeng, A, Zhao, C.-Z, Si, T, Du, J.-M, Wu, W.-W, Wang, F.-X, Xu, H.E, Zhu, J.-K.
登録日2017-05-10
公開日2017-11-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.612 Å)
主引用文献Combining chemical and genetic approaches to increase drought resistance in plants.
Nat Commun, 8, 2017
4CS4
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BU of 4cs4 by Molmil
Catalytic domain of Pyrrolysyl-tRNA synthetase mutant Y306A, Y384F in complex with AMPPNP
分子名称: 1,2-ETHANEDIOL, 2-{[dihydroxy(4-aminoethylphenyl)-{4}-sulfanyl]amino}-3-hydroxypropanoic acid, MAGNESIUM ION, ...
著者Schmidt, M.J, Weber, A, Pott, M, Welte, W, Summerer, D.
登録日2014-03-04
公開日2014-04-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.349 Å)
主引用文献Structural Basis of Furan-Amino Acid Recognition by a Polyspecific Aminoacyl-tRNA-Synthetase and its Genetic Encoding in Human Cells.
Chembiochem, 15, 2014
5MZA
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BU of 5mza by Molmil
The DBLb domain of PF11_0521 PfEMP1 bound to human ICAM-1
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, Erythrocyte membrane protein 1 (PfEMP1), ...
著者Lennartz, F, Higgins, M.K.
登録日2017-01-31
公開日2017-03-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Structure-Guided Identification of a Family of Dual Receptor-Binding PfEMP1 that Is Associated with Cerebral Malaria.
Cell Host Microbe, 21, 2017
5ZJF
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BU of 5zjf by Molmil
LDHA-MA
分子名称: 5,5'-[(2R,3S)-2,3-dimethylbutane-1,4-diyl]bis(2H-1,3-benzodioxole), L-lactate dehydrogenase A chain
著者Han, C.W, Jang, S.B.
登録日2018-03-20
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Machilin A Inhibits Tumor Growth and Macrophage M2 Polarization Through the Reduction of Lactic Acid.
Cancers (Basel), 11, 2019
5HF6
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BU of 5hf6 by Molmil
Crystal structure of human acetylcholinesterase in complex with paraoxon in the aged state
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Franklin, M.F, Rudolph, M.J, Ginter, C, Cassidy, M.S, Cheung, J.
登録日2016-01-06
公開日2016-06-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of paraoxon-inhibited human acetylcholinesterase reveal perturbations of the acyl loop and the dimer interface.
Proteins, 84, 2016
5EMU
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BU of 5emu by Molmil
Crystal structure of deoxyribose-phosphate aldolase from Escherichia coli (K58E-Y96W mutant) after acetaldehyde treatment and heating
分子名称: 1-BUTANOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Deoxyribose-phosphate aldolase
著者Weiergraeber, O.H, Dick, M, Pietruszka, J.
登録日2015-11-06
公開日2016-05-04
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mechanism-based inhibition of an aldolase at high concentrations of its natural substrate acetaldehyde: structural insights and protective strategies.
Chem Sci, 7, 2016
3LNT
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BU of 3lnt by Molmil
Crystal structure of phosphoglyceromutase from Burkholderia Pseudomallei 1710B with bound malonic acid
分子名称: 1,2-ETHANEDIOL, 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase, MALONATE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-02-03
公開日2010-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献An ensemble of structures of Burkholderia pseudomallei 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase.
Acta Crystallogr.,Sect.F, 67, 2011
6M68
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BU of 6m68 by Molmil
The Cryo-EM Structure of Human Pannexin 1 in the Presence of CBX
分子名称: Pannexin-1
著者Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
登録日2020-03-13
公開日2020-04-15
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
3LPV
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BU of 3lpv by Molmil
X-ray crystal structure of duplex DNA containing a cisplatin 1,2-d(GpG) intrastrand cross-link
分子名称: 5'-D(*CP*CP*TP*CP*TP*GP*GP*TP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*AP*CP*CP*AP*GP*AP*GP*G)-3', Cisplatin, ...
著者Todd, R.C, Lippard, S.J.
登録日2010-02-06
公開日2010-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structure of duplex DNA containing the cisplatin 1,2-{Pt(NH(3))(2)}(2+)-d(GpG) cross-link at 1.77A resolution.
J.Inorg.Biochem., 104, 2010
9J0N
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BU of 9j0n by Molmil
Paused elongation complex of mammalian RNA polymerase II with nucleosome (PEC2-nuc)
分子名称: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB11-a, ...
著者Naganuma, M, Kujirai, T, Ehara, H, Uejima, T, Ito, T, Goto, M, Aoki, M, Henmi, M, Miyamoto-Kohno, S, Shirouzu, M, Kurumizaka, H, Sekine, S.
登録日2024-08-02
公開日2025-02-05
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural insights into promoter-proximal pausing of RNA polymerase II at +1 nucleosome.
Sci Adv, 11, 2025
6M66
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The Cryo-EM Structure of Human Pannexin 1
分子名称: Pannexin-1
著者Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
登録日2020-03-13
公開日2020-04-15
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
5LF4
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BU of 5lf4 by Molmil
Human 20S proteasome complex with Delanzomib at 2.0 Angstrom
分子名称: CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
著者Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
登録日2016-06-30
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
5LVC
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BU of 5lvc by Molmil
Aichi virus 1: empty particle
分子名称: VP0, VP1, VP3
著者Sabin, C, Fuzik, T, Skubnik, K, Palkova, L, Lindberg, A.M, Plevka, P.
登録日2016-09-13
公開日2016-12-14
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structure of Aichi Virus 1 and Its Empty Particle: Clues to Kobuvirus Genome Release Mechanism.
J.Virol., 90, 2016
3DWY
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BU of 3dwy by Molmil
Crystal Structure of the Bromodomain of Human CREBBP
分子名称: 1,2-ETHANEDIOL, CREB-binding protein
著者Filippakopoulos, P, Picaud, S, Fedorov, O, Karim, R, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wickstroem, M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2008-07-23
公開日2008-08-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012

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