7LXV
 
 | | Structure of human 20S proteasome with bound MPI-5 | | Descriptor: | N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | | Authors: | Metcalfe, R.D, Morton, C.J, Liu, B, Xie, S.C, Hanssen, E, Leis, A.P, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2021-03-05 | | Release date: | 2021-09-22 | | Last modified: | 2022-04-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Design of proteasome inhibitors with oral efficacy in vivo against Plasmodium falciparum and selectivity over the human proteasome.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
2SNS
 | | STAPHYLOCOCCAL NUCLEASE. PROPOSED MECHANISM OF ACTION BASED ON STRUCTURE OF ENZYME-THYMIDINE 3(PRIME),5(PRIME)-BIPHOSPHATE-CALCIUM ION COMPLEX AT 1.5-ANGSTROMS RESOLUTION | | Descriptor: | CALCIUM ION, THERMONUCLEASE PRECURSOR, THYMIDINE-3',5'-DIPHOSPHATE | | Authors: | Legg, M.J, Cotton, F.A, Hazen Jr, E.E. | | Deposit date: | 1982-05-14 | | Release date: | 1982-07-29 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: |
Thesis, Texas Agricultural and Mechanical University, 1977
|
|
7N10
 | |
7N1N
 | | Prx in complex with ComR DNA-binding domain | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ComR, Prx | | Authors: | Rutbeek, N.R, Prehna, G. | | Deposit date: | 2021-05-27 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular mechanism of quorum sensing inhibition in Streptococcus by the phage protein paratox.
J.Biol.Chem., 297, 2021
|
|
3WV2
 | | Crystal structure of the catalytic domain of MMP-13 complexed with N-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide | | Descriptor: | CALCIUM ION, Collagenase 3, N-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide, ... | | Authors: | Oki, H, Tanaka, Y. | | Deposit date: | 2014-05-12 | | Release date: | 2014-09-24 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Thieno[2,3-d]pyrimidine-2-carboxamides bearing a carboxybenzene group at 5-position: highly potent, selective, and orally available MMP-13 inhibitors interacting with the S1′′ binding site.
Bioorg.Med.Chem., 22, 2014
|
|
3WV3
 | | Crystal structure of the catalytic domain of MMP-13 complexed with N-(3-methoxybenzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxamide | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Collagenase 3, ... | | Authors: | Oki, H, Tanaka, Y. | | Deposit date: | 2014-05-12 | | Release date: | 2014-09-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Thieno[2,3-d]pyrimidine-2-carboxamides bearing a carboxybenzene group at 5-position: highly potent, selective, and orally available MMP-13 inhibitors interacting with the S1′′ binding site.
Bioorg.Med.Chem., 22, 2014
|
|
3WV1
 | | Crystal structure of the catalytic domain of MMP-13 complexed with 4-(2-((6-fluoro-2-((3-methoxybenzyl)carbamoyl)-4-oxo-3,4-dihydroquinazolin-5-yl)oxy)ethyl)benzoic acid | | Descriptor: | 4-[2-({6-fluoro-2-[(3-methoxybenzyl)carbamoyl]-4-oxo-3,4-dihydroquinazolin-5-yl}oxy)ethyl]benzoic acid, CALCIUM ION, Collagenase 3, ... | | Authors: | Oki, H, Tanaka, Y. | | Deposit date: | 2014-05-12 | | Release date: | 2015-05-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of novel, highly potent, and selective quinazoline-2-carboxamide-based matrix metalloproteinase (MMP)-13 inhibitors without a zinc binding group using a structure-based design approach
J.Med.Chem., 57, 2014
|
|
6A77
 | | Crystal structure of the fifth immunoglobulin domain (Ig5) of human Robo1 in complex with the Fab fragment of murine monoclonal antibody B5209B | | Descriptor: | Heavy chain of the anti-human Robo1 antibody B5209B Fab, Light chain of the anti-human Robo1 antibody B5209B Fab, Roundabout homolog 1 | | Authors: | Mizohata, E, Nakayama, T, Kado, Y, Inoue, T. | | Deposit date: | 2018-07-02 | | Release date: | 2019-01-30 | | Last modified: | 2019-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Affinity Improvement of a Cancer-Targeted Antibody through Alanine-Induced Adjustment of Antigen-Antibody Interface.
Structure, 27, 2019
|
|
6A76
 | | Crystal structure of the Fab fragment of B5209B, a murine monoclonal antibody specific for the fifth immunoglobulin domain (Ig5) of human ROBO1 | | Descriptor: | GLYCEROL, Heavy chain of the anti-human Robo1 antibody B5209B Fab, Light chain of the anti-human Robo1 antibody B5209B Fab, ... | | Authors: | Mizohata, E, Nakayama, T, Kado, Y, Inoue, T. | | Deposit date: | 2018-07-02 | | Release date: | 2019-01-30 | | Last modified: | 2019-03-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Affinity Improvement of a Cancer-Targeted Antibody through Alanine-Induced Adjustment of Antigen-Antibody Interface.
Structure, 27, 2019
|
|
6A78
 | | Crystal structure of the fifth immunoglobulin domain (Ig5) of human Robo1 in complex with the scFv fragment of murine monoclonal antibody B5209B | | Descriptor: | Heavy chain and linker region of the anti-human Robo1 antibody B5209B scFv, Light chain region of the anti-human Robo1 antibody B5209B scFv, Roundabout homolog 1, ... | | Authors: | Mizohata, E, Nakayama, T, Kado, Y, Inoue, T. | | Deposit date: | 2018-07-02 | | Release date: | 2019-01-30 | | Last modified: | 2019-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Affinity Improvement of a Cancer-Targeted Antibody through Alanine-Induced Adjustment of Antigen-Antibody Interface.
Structure, 27, 2019
|
|
6LUD
 | | Crystal Structure of EGFR(L858R/T790M/C797S) in complex with Osimertinib | | Descriptor: | Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide | | Authors: | Kawauchi, H, Fukami, T.A, Sato, S, Endo, M, Torizawa, T, Kashima, K, Chiba, T, Sakamoto, H. | | Deposit date: | 2020-01-27 | | Release date: | 2020-10-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | CH7233163 Overcomes Osimertinib-Resistant EGFR-Del19/T790M/C797S Mutation.
Mol.Cancer Ther., 19, 2020
|
|
6A79
 | | Crystal structure of the fifth immunoglobulin domain (Ig5) of human Robo1 in complex with the mutant scFv fragment (P103A) of murine monoclonal antibody B5209B | | Descriptor: | Heavy chain of the anti-human Robo1 antibody B5209B scFv, Light chain region of the anti-human Robo1 antibody B5209B scFv, Roundabout homolog 1, ... | | Authors: | Mizohata, E, Nakayama, T, Kado, Y, Yokota, Y, Inoue, T. | | Deposit date: | 2018-07-02 | | Release date: | 2019-01-30 | | Last modified: | 2019-03-20 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Affinity Improvement of a Cancer-Targeted Antibody through Alanine-Induced Adjustment of Antigen-Antibody Interface.
Structure, 27, 2019
|
|
6LUB
 | | Crystal Structure of EGFR(L858R/T790M/C797S) in complex with CH7233163 | | Descriptor: | Epidermal growth factor receptor, N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-7-(4-methylpiperazin-1-yl)-5-propan-2-yl-9-[2,2,2-tris(fluoranyl)ethoxy]pyrido[4,3-b]indol-3-amine | | Authors: | Kawauchi, H, Fukami, T.A, Sato, S, Endo, M, Torizawa, T, Kashima, K, Chiba, T, Sakamoto, H. | | Deposit date: | 2020-01-27 | | Release date: | 2020-10-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.315 Å) | | Cite: | CH7233163 Overcomes Osimertinib-Resistant EGFR-Del19/T790M/C797S Mutation.
Mol.Cancer Ther., 19, 2020
|
|
2E5A
 | | Crystal Structure of Bovine Lipoyltransferase in Complex with Lipoyl-AMP | | Descriptor: | 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE, ACETIC ACID, Lipoyltransferase 1, ... | | Authors: | Fujiwara, K, Hosaka, H, Matsuda, M, Suzuki, M, Nakagawa, A. | | Deposit date: | 2006-12-19 | | Release date: | 2007-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of bovine Lipoyltransferase in complex with lipoyl-AMP
J.Mol.Biol., 371, 2007
|
|
1J1E
 | | Crystal structure of the 52kDa domain of human cardiac troponin in the Ca2+ saturated form | | Descriptor: | CALCIUM ION, Troponin C, Troponin I, ... | | Authors: | Takeda, S, Yamashita, A, Maeda, K, Maeda, Y. | | Deposit date: | 2002-12-03 | | Release date: | 2003-07-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure of the core domain of human cardiac troponin in the Ca2+-saturated form
Nature, 424, 2003
|
|
3A3V
 | | Crystal structure of reducing-end-xylose releasing exo-oligoxylanase Y198F mutant | | Descriptor: | GLYCEROL, NICKEL (II) ION, Xylanase Y | | Authors: | Hidaka, M, Fushinobu, S, Honda, Y, Kitaoka, M. | | Deposit date: | 2009-06-22 | | Release date: | 2009-11-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Structural explanation for the acquisition of glycosynthase activity
J.Biochem., 147, 2010
|
|
3A7A
 | | Crystal structure of E. coli lipoate-protein ligase A in complex with octyl-amp and apoH-protein | | Descriptor: | ADENOSINE MONOPHOSPHATE, Glycine cleavage system H protein, Lipoate-protein ligase A, ... | | Authors: | Fujiwara, K, Hosaka, H, Nakagawa, A. | | Deposit date: | 2009-09-20 | | Release date: | 2010-01-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Global conformational change associated with the two-step reaction catalyzed by Escherichia coli lipoate-protein ligase A.
J.Biol.Chem., 285, 2010
|
|
3A7U
 | |
3A7R
 | |
6K9U
 | | Discovery of Pyrazolo[1,5-a]pyrimidine Derivative as a Highly Selective PDE10A Inhibitor | | Descriptor: | 2-(3,7-dimethylquinoxalin-2-yl)-~{N}-(oxan-4-yl)-5-pyrrolidin-1-yl-pyrazolo[1,5-a]pyrimidin-7-amine, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Takedomi, K, Koizumi, Y. | | Deposit date: | 2019-06-18 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery of a pyrazolo[1,5-a]pyrimidine derivative (MT-3014) as a highly selective PDE10A inhibitor via core structure transformation from the stilbene moiety.
Bioorg.Med.Chem., 27, 2019
|
|
1J1D
 | | Crystal structure of the 46kDa domain of human cardiac troponin in the Ca2+ saturated form | | Descriptor: | CALCIUM ION, Troponin C, Troponin I, ... | | Authors: | Takeda, S, Yamashita, A, Maeda, K, Maeda, Y. | | Deposit date: | 2002-12-03 | | Release date: | 2003-07-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structure of the core domain of human cardiac troponin in the Ca2+-saturated form
Nature, 424, 2003
|
|
1EW0
 | | CRYSTAL STRUCTURE ANALYSIS OF THE SENSOR DOMAIN OF RMFIXL(FERROUS FORM) | | Descriptor: | FIXL, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Miyatake, H, Mukai, M, Park, S.-Y, Adachi, S, Tamura, K, Nakamura, H, Nakamura, K, Tsuchiya, T, Iizuka, T, Shiro, Y. | | Deposit date: | 2000-04-21 | | Release date: | 2000-05-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Sensory mechanism of oxygen sensor FixL from Rhizobium meliloti: crystallographic, mutagenesis and resonance Raman spectroscopic studies
J.MOL.BIOL., 301, 2000
|
|
3A8I
 | | Crystal Structure of ET-EHred-5-CH3-THF complex | | Descriptor: | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, Aminomethyltransferase, Glycine cleavage system H protein, ... | | Authors: | Okamura-Ikeda, K, Hosaka, H. | | Deposit date: | 2009-10-06 | | Release date: | 2010-04-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Crystal structure of aminomethyltransferase in complex with dihydrolipoyl-H-protein of the glycine cleavage system: implications for recognition of lipoyl protein substrate, disease-related mutations, and reaction mechanism
J.Biol.Chem., 285, 2010
|
|
1A2X
 | | COMPLEX OF TROPONIN C WITH A 47 RESIDUE (1-47) FRAGMENT OF TROPONIN I | | Descriptor: | CALCIUM ION, TROPONIN C, TROPONIN I | | Authors: | Vassylyev, D.G, Takeda, S, Wakatsuki, S, Maeda, K, Maeda, Y. | | Deposit date: | 1998-01-13 | | Release date: | 1998-07-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of troponin C in complex with troponin I fragment at 2.3-A resolution.
Proc.Natl.Acad.Sci.USA, 95, 1998
|
|
3A8J
 | | Crystal Structure of ET-EHred complex | | Descriptor: | Aminomethyltransferase, Glycine cleavage system H protein | | Authors: | Okamura-Ikeda, K, Hosaka, H. | | Deposit date: | 2009-10-06 | | Release date: | 2010-04-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal structure of aminomethyltransferase in complex with dihydrolipoyl-H-protein of the glycine cleavage system: implications for recognition of lipoyl protein substrate, disease-related mutations, and reaction mechanism
J.Biol.Chem., 285, 2010
|
|
