7D19
 
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3WIY
 | | Crystal structure of Mcl-1 in complex with compound 10 | | Descriptor: | 7-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Sogabe, S, Igaki, S, Hayano, Y. | | Deposit date: | 2013-09-26 | | Release date: | 2013-11-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins.
J.Med.Chem., 56, 2013
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6JAF
 | | Crystal structure of Trypanosoma brucei gambiense glycerol kinase complex with PPi (pyrophosphatase reaction) | | Descriptor: | GLYCEROL, Glycerol kinase, PYROPHOSPHATE 2- | | Authors: | Balogun, E.O, Chishima, T, Ichinose, M, Inaoka, D.K, Kido, Y, Ibrahim, B, Bringaud, F, de Koning, H, McKerrow, J.H, Watanabe, Y, Nozaki, T, Michels, P.A.M, Harada, S, Kita, K, Shiba, T. | | Deposit date: | 2019-01-24 | | Release date: | 2020-01-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Glycerol Kinase of African Human Trypanosomes Possesses a Pyrophosphatase Activity.
To Be Published
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6JIB
 | | Human MTHFD2 in complex with DS44960156 | | Descriptor: | 4-(5-oxo-1,5-dihydro-2H-[1]benzopyrano[3,4-c]pyridine-3(4H)-carbonyl)benzoic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | | Authors: | Suzuki, M, Matsui, Y, Kawai, J. | | Deposit date: | 2019-02-20 | | Release date: | 2019-06-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold.
Acs Med.Chem.Lett., 10, 2019
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6JAE
 | | Crystal structure of Trypanosoma brucei gambiense glycerol kinase complex with Pi (pyrophosphatase reaction) | | Descriptor: | GLYCEROL, Glycerol kinase, PHOSPHATE ION | | Authors: | Balogun, E.O, Chishima, T, Ichinose, M, Inaoka, D.K, Kido, Y, Ibrahim, B, Bringaud, F, de Koning, H, McKerrow, J.H, Watanabe, Y, Nozaki, T, Michels, P.A.M, Harada, S, Kita, K, Shiba, T. | | Deposit date: | 2019-01-24 | | Release date: | 2020-01-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Glycerol Kinase of African Human Trypanosomes Possesses a Pyrophosphatase Activity.
To Be Published
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6JID
 | | Human MTHFD2 in complex with Compound 1 | | Descriptor: | 5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4H)-carbonyl)-1,3-dihydro-2H-2lambda~6~,1-benzothiazole-2,2-dione, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | | Authors: | Suzuki, M, Matsui, Y, Matsuhashi, N, Kawai, J. | | Deposit date: | 2019-02-20 | | Release date: | 2019-06-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold.
Acs Med.Chem.Lett., 10, 2019
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2RS9
 | | Solution structure of the bromodomain of human BRPF1 in complex with histone H4K5ac peptide | | Descriptor: | Acetylated lysine 5 of peptide from Histone H4, Peregrin | | Authors: | Qin, X, Nagashima, T, Umehara, T, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2011-12-08 | | Release date: | 2012-12-12 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Site-specific histone recognition by the bromodomain of Brpf1 and the role in MOZ/MORF histone acetyltransferase complexes
To be Published
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6J9X
 | | Crystal structure of Trypanosoma brucei gambiense glycerol kinase phosphorylated at Thr12(pyrophosphatase reaction) | | Descriptor: | GLYCEROL, Glycerol kinase | | Authors: | Balogun, E.O, Chishima, T, Ichinose, M, Inaoka, D.K, Kido, Y, Ibrahim, B, Bringaud, F, de Koning, H, McKerrow, J.H, Watanabe, Y, Nozaki, T, Michels, P.A.M, Harada, S, Kita, K, Shiba, T. | | Deposit date: | 2019-01-24 | | Release date: | 2020-01-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Glycerol Kinase of African Human Trypanosomes Possesses a Pyrophosphatase Activity.
To Be Published
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6KIP
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6MJL
 | | Crystal structure of ChREBP NLS peptide bound to importin alpha. | | Descriptor: | ChREBP Peptide ASN-TYR-TRP-LYS-ARG-ARG-ILE-GLU-VAL, Importin subunit alpha-1 | | Authors: | Jung, H, Uyeda, K. | | Deposit date: | 2018-09-21 | | Release date: | 2019-09-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The structure of importin alpha and the nuclear localization peptide of ChREBP, and small compound inhibitors of ChREBP-importin alpha interactions.
Biochem.J., 477, 2020
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3WIZ
 | | Crystal structure of Bcl-xL in complex with compound 10 | | Descriptor: | 7-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid, Bcl-2-like protein 1, PHOSPHATE ION | | Authors: | Sogabe, S, Igaki, S, Hayano, Y. | | Deposit date: | 2013-09-26 | | Release date: | 2013-11-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Discovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins.
J.Med.Chem., 56, 2013
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5Y3T
 | | Crystal structure of hetero-trimeric core of LUBAC: HOIP double-UBA complexed with HOIL-1L UBL and SHARPIN UBL | | Descriptor: | E3 ubiquitin-protein ligase RNF31, GLYCEROL, RanBP-type and C3HC4-type zinc finger-containing protein 1, ... | | Authors: | Tokunaga, A, Fujita, H, Ariyoshi, M, Ohki, I, Tochio, H, Iwai, K, Shirakawa, M. | | Deposit date: | 2017-07-31 | | Release date: | 2018-05-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Cooperative Domain Formation by Homologous Motifs in HOIL-1L and SHARPIN Plays A Crucial Role in LUBAC Stabilization.
Cell Rep, 23, 2018
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5YY0
 | | Crystal structure of the HyhL-HypA complex (form II) | | Descriptor: | Cytosolic NiFe-hydrogenase, alpha subunit, Probable hydrogenase nickel incorporation protein HypA, ... | | Authors: | Kwon, S, Watanabe, S, Nishitani, Y, Miki, K. | | Deposit date: | 2017-12-07 | | Release date: | 2018-06-20 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.243 Å) | | Cite: | Crystal structures of a [NiFe] hydrogenase large subunit HyhL in an immature state in complex with a Ni chaperone HypA.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5YXY
 | | Crystal structure of the HyhL-HypA complex (form I) | | Descriptor: | Cytosolic NiFe-hydrogenase, alpha subunit, Probable hydrogenase nickel incorporation protein HypA, ... | | Authors: | Kwon, S, Watanabe, S, Nishitani, Y, Miki, K. | | Deposit date: | 2017-12-07 | | Release date: | 2018-06-20 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.299 Å) | | Cite: | Crystal structures of a [NiFe] hydrogenase large subunit HyhL in an immature state in complex with a Ni chaperone HypA.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2Z9S
 | | Crystal Structure Analysis of rat HBP23/Peroxiredoxin I, Cys52Ser mutant | | Descriptor: | Peroxiredoxin-1 | | Authors: | Matsumura, T, Okamoto, K, Nishino, T, Abe, Y. | | Deposit date: | 2007-09-25 | | Release date: | 2007-11-20 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Dimer-Oligomer Interconversion of Wild-type and Mutant Rat 2-Cys Peroxiredoxin: DISULFIDE FORMATION AT DIMER-DIMER INTERFACES IS NOT ESSENTIAL FOR DECAMERIZATION
J.Biol.Chem., 283, 2008
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2Z5E
 | | Crystal Structure of Proteasome Assembling Chaperone 3 | | Descriptor: | Proteasome Assembling Chaperone 3 | | Authors: | Okamoto, K, Kurimoto, E, Sakata, E, Suzuki, A, Yamane, T, Hirano, Y, Murata, S, Tanaka, K, Kato, K. | | Deposit date: | 2007-07-06 | | Release date: | 2008-02-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a chaperone complex that contributes to the assembly of yeast 20S proteasomes
Nat.Struct.Mol.Biol., 15, 2008
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2ZUK
 | | The crystal structure of alpha-amino-epsilon-caprolactam racemase from Achromobacter obae complexed with epsilon caprolactam (different binding mode) | | Descriptor: | Alpha-amino-epsilon-caprolactam racemase, PYRIDOXAL-5'-PHOSPHATE, azepan-2-one | | Authors: | Okazaki, S, Suzuki, A, Komeda, H, Asano, Y, Yamane, T. | | Deposit date: | 2008-10-18 | | Release date: | 2009-02-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | The novel structure of a pyridoxal 5'-phosphate-dependent fold-type I racemase, alpha-amino-epsilon-caprolactam racemase from Achromobacter obae
Biochemistry, 48, 2009
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2HB7
 | | Crystal structure of VDR LBD in complex with 2alpha(3-hydroxy-1-propyl) calcitriol | | Descriptor: | 2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-DIHYDROXYVITAMIN D3, Vitamin D3 receptor | | Authors: | Hourai, S, Rochel, N, Moras, D. | | Deposit date: | 2006-06-14 | | Release date: | 2006-08-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues
J.Med.Chem., 49, 2006
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2HAR
 | | Crystal structure of VDR LBD in complex with 2 alpha-(3-hydroxy-1-propoxy) calcitriol | | Descriptor: | 2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-DIHYDROXYVITAMIN D3, Vitamin D3 receptor | | Authors: | Hourai, S, Rochel, N, Moras, D. | | Deposit date: | 2006-06-13 | | Release date: | 2006-08-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues
J.Med.Chem., 49, 2006
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2HAM
 | | Crystal structure of VDR LBD complexed to 2alpha-propyl-calcitriol | | Descriptor: | 2ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3, Vitamin D3 receptor | | Authors: | Hourai, S, Rochel, N, Moras, D. | | Deposit date: | 2006-06-13 | | Release date: | 2006-08-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues
J.Med.Chem., 49, 2006
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2HAS
 | | Crystal structure of VDR LBD in complex with 2alpha-(1-propoxy) calcitriol | | Descriptor: | 2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3, Vitamin D3 receptor | | Authors: | Hourai, S, Rochel, N, Moras, D. | | Deposit date: | 2006-06-13 | | Release date: | 2006-08-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues
J.Med.Chem., 49, 2006
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2HB8
 | | Crystal structure of VDR LBD in complex with 2alpha-methyl calcitriol | | Descriptor: | 2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-VITAMIN D3, Vitamin D3 receptor | | Authors: | Hourai, S, Rochel, N, Moras, D. | | Deposit date: | 2006-06-14 | | Release date: | 2006-08-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues
J.Med.Chem., 49, 2006
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1X12
 | | Structure of Mutant Pyrrolidone Carboxyl Peptidase (E192D) from a Hyperthermophile, Pyrococcus furiosus | | Descriptor: | Pyrrolidone-carboxylate peptidase | | Authors: | Kaushik, J.K, Yamagata, Y, Ogasahara, K, Yutani, K. | | Deposit date: | 2005-03-31 | | Release date: | 2006-06-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Completely buried, non-ion-paired glutamic acid contributes favorably to the conformational stability of pyrrolidone carboxyl peptidases from hyperthermophiles.
Biochemistry, 45, 2006
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1X10
 | | Structure of Mutant Pyrrolidone Carboxyl Peptidase (E192A) from a Hyperthermophile, Pyrococcus furiosus | | Descriptor: | Pyrrolidone-carboxylate peptidase | | Authors: | Kaushik, J.K, Yamagata, Y, Ogasahara, K, Yutani, K. | | Deposit date: | 2005-03-31 | | Release date: | 2006-06-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Completely buried, non-ion-paired glutamic acid contributes favorably to the conformational stability of pyrrolidone carboxyl peptidases from hyperthermophiles.
Biochemistry, 45, 2006
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3PCV
 | | Crystal structure analysis of human leukotriene C4 synthase at 1.9 angstrom resolution | | Descriptor: | 1,2-ETHANEDIOL, DODECYL-BETA-D-MALTOSIDE, GLUTATHIONE, ... | | Authors: | Saino, H, Ago, H, Miyano, M. | | Deposit date: | 2010-10-22 | | Release date: | 2011-03-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The catalytic architecture of leukotriene C4 synthase with two arginine residues
J.Biol.Chem., 286, 2011
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