7G1B
 
 | | 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 | | Descriptor: | (1S,2S)-2-{1-[(3-chlorophenyl)methyl]-1H-indol-2-yl}cyclopropane-1-carboxylic acid, Fatty acid-binding protein, adipocyte | | Authors: | Ehler, A, Benz, J, Obst, U, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | 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
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4ZEJ
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1WYP
 | | Solution structure of the CH domain of human Calponin 1 | | Descriptor: | Calponin 1 | | Authors: | Tomizawa, T, Kigawa, T, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-02-15 | | Release date: | 2005-08-15 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the CH domain of human Calponin 1
To be Published
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6FTR
 | | Serial Femtosecond Crystallography at Megahertz pulse rates | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Wiedorn, M.O, Oberthuer, D, Barty, A, Chapman, H.N. | | Deposit date: | 2018-02-23 | | Release date: | 2018-10-10 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.76000106 Å) | | Cite: | Megahertz serial crystallography.
Nat Commun, 9, 2018
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6D1E
 | | Crystal structure of NDM-1 complexed with compound 7 | | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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6D1F
 | | Crystal structure of NDM-1 complexed with compound 8 | | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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7FWL
 | | 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 | | Descriptor: | 5-[(3,4-dichlorophenyl)methyl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione, Fatty acid-binding protein, adipocyte, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | 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
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9F1C
 | | Mammalian quaternary complex of a translating 80S ribosome, NAC, MetAP1 and NatA/E | | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ... | | Authors: | Yudin, D, Scaiola, A, Ban, N. | | Deposit date: | 2024-04-18 | | Release date: | 2024-08-21 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (3.78 Å) | | Cite: | NAC guides a ribosomal multienzyme complex for nascent protein processing.
Nature, 633, 2024
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7FXU
 | | 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 | | Descriptor: | 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, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Richter, H, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | 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
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9F1D
 | | Mammalian quaternary complex of a translating 80S ribosome, NAC, MetAP1 and NatA/E-HYPK | | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ... | | Authors: | Yudin, D, Scaiola, A, Ban, N. | | Deposit date: | 2024-04-18 | | Release date: | 2024-08-21 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | NAC guides a ribosomal multienzyme complex for nascent protein processing.
Nature, 633, 2024
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4CS2
 | | Catalytic domain of Pyrrolysyl-tRNA synthetase mutant Y306A, Y384F in its apo form | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PYRROLYSINE--TRNA LIGASE | | Authors: | Schmidt, M.J, Weber, A, Pott, M, Welte, W, Summerer, D. | | Deposit date: | 2014-03-04 | | Release date: | 2014-04-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis of Furan-Amino Acid Recognition by a Polyspecific Aminoacyl-tRNA-Synthetase and its Genetic Encoding in Human Cells.
Chembiochem, 15, 2014
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5VR7
 | | ABA-mimicking ligand AMF1alpha in complex with ABA receptor PYL2 and PP2C HAB1 | | Descriptor: | 1-(2-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ... | | Authors: | 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. | | Deposit date: | 2017-05-10 | | Release date: | 2017-11-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.612 Å) | | Cite: | Combining chemical and genetic approaches to increase drought resistance in plants.
Nat Commun, 8, 2017
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4CS4
 | | Catalytic domain of Pyrrolysyl-tRNA synthetase mutant Y306A, Y384F in complex with AMPPNP | | Descriptor: | 1,2-ETHANEDIOL, 2-{[dihydroxy(4-aminoethylphenyl)-{4}-sulfanyl]amino}-3-hydroxypropanoic acid, MAGNESIUM ION, ... | | Authors: | Schmidt, M.J, Weber, A, Pott, M, Welte, W, Summerer, D. | | Deposit date: | 2014-03-04 | | Release date: | 2014-04-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.349 Å) | | Cite: | Structural Basis of Furan-Amino Acid Recognition by a Polyspecific Aminoacyl-tRNA-Synthetase and its Genetic Encoding in Human Cells.
Chembiochem, 15, 2014
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5MZA
 | | The DBLb domain of PF11_0521 PfEMP1 bound to human ICAM-1 | | Descriptor: | 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), ... | | Authors: | Lennartz, F, Higgins, M.K. | | Deposit date: | 2017-01-31 | | Release date: | 2017-03-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Structure-Guided Identification of a Family of Dual Receptor-Binding PfEMP1 that Is Associated with Cerebral Malaria.
Cell Host Microbe, 21, 2017
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5ZJF
 | | LDHA-MA | | Descriptor: | 5,5'-[(2R,3S)-2,3-dimethylbutane-1,4-diyl]bis(2H-1,3-benzodioxole), L-lactate dehydrogenase A chain | | Authors: | Han, C.W, Jang, S.B. | | Deposit date: | 2018-03-20 | | Release date: | 2019-07-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.602 Å) | | Cite: | Machilin A Inhibits Tumor Growth and Macrophage M2 Polarization Through the Reduction of Lactic Acid.
Cancers (Basel), 11, 2019
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5HF6
 | | Crystal structure of human acetylcholinesterase in complex with paraoxon in the aged state | | Descriptor: | 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, ... | | Authors: | Franklin, M.F, Rudolph, M.J, Ginter, C, Cassidy, M.S, Cheung, J. | | Deposit date: | 2016-01-06 | | Release date: | 2016-06-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of paraoxon-inhibited human acetylcholinesterase reveal perturbations of the acyl loop and the dimer interface.
Proteins, 84, 2016
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5EMU
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3LNT
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6M68
 | | The Cryo-EM Structure of Human Pannexin 1 in the Presence of CBX | | Descriptor: | Pannexin-1 | | Authors: | Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S. | | Deposit date: | 2020-03-13 | | Release date: | 2020-04-15 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
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3LPV
 | | X-ray crystal structure of duplex DNA containing a cisplatin 1,2-d(GpG) intrastrand cross-link | | Descriptor: | 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, ... | | Authors: | Todd, R.C, Lippard, S.J. | | Deposit date: | 2010-02-06 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | 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
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9J0N
 | | Paused elongation complex of mammalian RNA polymerase II with nucleosome (PEC2-nuc) | | Descriptor: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB11-a, ... | | Authors: | 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. | | Deposit date: | 2024-08-02 | | Release date: | 2025-02-05 | | Last modified: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural insights into promoter-proximal pausing of RNA polymerase II at +1 nucleosome.
Sci Adv, 11, 2025
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6M66
 | | The Cryo-EM Structure of Human Pannexin 1 | | Descriptor: | Pannexin-1 | | Authors: | Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S. | | Deposit date: | 2020-03-13 | | Release date: | 2020-04-15 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
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5LF4
 | | Human 20S proteasome complex with Delanzomib at 2.0 Angstrom | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | | Deposit date: | 2016-06-30 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
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5LVC
 | | Aichi virus 1: empty particle | | Descriptor: | VP0, VP1, VP3 | | Authors: | Sabin, C, Fuzik, T, Skubnik, K, Palkova, L, Lindberg, A.M, Plevka, P. | | Deposit date: | 2016-09-13 | | Release date: | 2016-12-14 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structure of Aichi Virus 1 and Its Empty Particle: Clues to Kobuvirus Genome Release Mechanism.
J.Virol., 90, 2016
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3DWY
 | | Crystal Structure of the Bromodomain of Human CREBBP | | Descriptor: | 1,2-ETHANEDIOL, CREB-binding protein | | Authors: | 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) | | Deposit date: | 2008-07-23 | | Release date: | 2008-08-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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