5F5L
 
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7XGO
 | | Human renin in complex with compound2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND | | Authors: | Kashima, A. | | Deposit date: | 2022-04-05 | | Release date: | 2022-08-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors.
Acs Med.Chem.Lett., 13, 2022
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7XGK
 | | Human renin in complex with compound1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND | | Authors: | Kashima, A. | | Deposit date: | 2022-04-05 | | Release date: | 2022-08-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors.
Acs Med.Chem.Lett., 13, 2022
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7XGP
 | | Human renin in complex with compound3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND | | Authors: | Kashima, A. | | Deposit date: | 2022-04-05 | | Release date: | 2022-09-07 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of SPH3127: A Novel, Highly Potent, and Orally Active Direct Renin Inhibitor.
J.Med.Chem., 65, 2022
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7XLP
 | | MEK1 bound to DS03090629 | | Descriptor: | (1~{R},3~{S})-3-[[6-[2-chloranyl-4-(4-methylpyrimidin-2-yl)oxy-phenyl]-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexan-1-amine, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Kishikawa, S, Takano, K, Ubukata, O, Hanzawa, H. | | Deposit date: | 2022-04-22 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a Novel ATP-Competitive MEK Inhibitor DS03090629 that Overcomes Resistance Conferred by BRAF Overexpression in BRAF-Mutated Melanoma.
Mol.Cancer Ther., 22, 2023
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7XNC
 | | MEK1 bound to DS94070624 | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Kishikawa, S, Takano, K, Ubukata, O, Hanzawa, H. | | Deposit date: | 2022-04-28 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a Novel ATP-Competitive MEK Inhibitor DS03090629 that Overcomes Resistance Conferred by BRAF Overexpression in BRAF-Mutated Melanoma.
Mol.Cancer Ther., 22, 2023
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5WVO
 | | Crystal structure of DNMT1 RFTS domain in complex with K18/K23 mono-ubiquitylated histone H3 | | Descriptor: | DNA (cytosine-5)-methyltransferase 1, Histone H3.1, Ubiquitin, ... | | Authors: | Ishiyama, S, Nishiyama, A, Nakanishi, M, Arita, K. | | Deposit date: | 2016-12-28 | | Release date: | 2017-11-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Structure of the Dnmt1 Reader Module Complexed with a Unique Two-Mono-Ubiquitin Mark on Histone H3 Reveals the Basis for DNA Methylation Maintenance
Mol. Cell, 68, 2017
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7D6J
 | | Human serum albumin complexed with benzbromarone | | Descriptor: | Serum albumin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone | | Authors: | Kawai, A, Yamasaki, K. | | Deposit date: | 2020-09-30 | | Release date: | 2021-02-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | Interaction of Benzbromarone with Subdomains IIIA and IB/IIA on Human Serum Albumin as the Primary and Secondary Binding Regions.
Mol Pharm., 18, 2021
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6LYC
 | | Crystal structure of the NOD SIRPa complex with D4-2 | | Descriptor: | ACETIC ACID, D4-2, SIRPa of the NOD mouse strain | | Authors: | Murata, Y, Matsuda, M, Nakagawa, A, Matozaki, T. | | Deposit date: | 2020-02-14 | | Release date: | 2020-07-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Macrocyclic Peptide-Mediated Blockade of the CD47-SIRP alpha Interaction as a Potential Cancer Immunotherapy.
Cell Chem Biol, 27, 2020
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5F5N
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4PFK
 | | PHOSPHOFRUCTOKINASE. STRUCTURE AND CONTROL | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Evans, P.R, Hudson, P.J. | | Deposit date: | 1988-01-25 | | Release date: | 1989-01-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Phosphofructokinase: structure and control.
Philos.Trans.R.Soc.London,Ser.B, 293, 1981
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2JPH
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1GA5
 | | CRYSTAL STRUCTURE OF THE ORPHAN NUCLEAR RECEPTOR REV-ERB(ALPHA) DNA-BINDING DOMAIN BOUND TO ITS COGNATE RESPONSE ELEMENT | | Descriptor: | 5'-D(*CP*AP*AP*CP*TP*AP*GP*GP*TP*CP*AP*CP*TP*AP*GP*GP*TP*CP*AP*G)-3', 5'-D(*CP*TP*GP*AP*CP*CP*TP*AP*GP*TP*GP*AP*CP*CP*TP*AP*GP*TP*(5IT)P*G)-3', ORPHAN NUCLEAR RECEPTOR NR1D1, ... | | Authors: | Sierk, M.L, Zhao, Q, Rastinejad, F. | | Deposit date: | 2000-11-29 | | Release date: | 2001-11-16 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | DNA Deformability as a Recognition Feature in the RevErb Response Element
Biochemistry, 40, 2001
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3IE5
 | | Crystal structure of Hyp-1 protein from Hypericum perforatum (St John's wort) involved in hypericin biosynthesis | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Michalska, K, Fernandes, H, Sikorski, M.M, Jaskolski, M. | | Deposit date: | 2009-07-22 | | Release date: | 2009-11-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.688 Å) | | Cite: | Crystal structure of Hyp-1, a St. John's wort protein implicated in the biosynthesis of hypericin
J.Struct.Biol., 169, 2010
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1H6I
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1MLD
 | | REFINED STRUCTURE OF MITOCHONDRIAL MALATE DEHYDROGENASE FROM PORCINE HEART AND THE CONSENSUS STRUCTURE FOR DICARBOXYLIC ACID OXIDOREDUCTASES | | Descriptor: | CITRIC ACID, MALATE DEHYDROGENASE | | Authors: | Gleason, W.B, Fu, Z, Birktoft, J.J, Banaszak, L.J. | | Deposit date: | 1994-01-24 | | Release date: | 1995-01-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Refined crystal structure of mitochondrial malate dehydrogenase from porcine heart and the consensus structure for dicarboxylic acid oxidoreductases.
Biochemistry, 33, 1994
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7XAR
 | | Crystal structure of 3C-like protease from SARS-CoV-2 in complex with covalent inhibitor | | Descriptor: | 3C-like proteinase, 4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide, CHLORIDE ION, ... | | Authors: | Caaveiro, J.M.M, Ochi, J, Takahashi, D, Ueda, T, Ojida, A. | | Deposit date: | 2022-03-18 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Chlorofluoroacetamide-Based Covalent Inhibitors for Severe Acute Respiratory Syndrome Coronavirus 2 3CL Protease.
J.Med.Chem., 65, 2022
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1GRL
 | | THE CRYSTAL STRUCTURE OF THE BACTERIAL CHAPERONIN GROEL AT 2.8 ANGSTROMS | | Descriptor: | GROEL (HSP60 CLASS) | | Authors: | Braig, K, Otwinowski, Z, Hegde, R, Boisvert, D.C, Joachimiak, A, Horwich, A.L, Sigler, P.B. | | Deposit date: | 1995-03-07 | | Release date: | 1995-10-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The crystal structure of the bacterial chaperonin GroEL at 2.8 A.
Nature, 371, 1994
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1HLZ
 | | CRYSTAL STRUCTURE OF THE ORPHAN NUCLEAR RECEPTOR REV-ERB(ALPHA) DNA-BINDING DOMAIN BOUND TO ITS COGNATE RESPONSE ELEMENT | | Descriptor: | 5'-D(*CP*AP*AP*CP*TP*AP*GP*GP*TP*CP*AP*CP*TP*AP*GP*GP*TP*CP*AP*G)-3', 5'-D(*CP*TP*GP*AP*CP*CP*TP*AP*GP*TP*GP*AP*CP*CP*TP*AP*GP*TP*TP*G)-3', ORPHAN NUCLEAR RECEPTOR NR1D1, ... | | Authors: | Sierk, M.L, Zhao, Q, Rastinejad, F. | | Deposit date: | 2000-12-04 | | Release date: | 2001-11-16 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | DNA Deformability as a Recognition Feature in the RevErb Response Element
Biochemistry, 40, 2001
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2PKP
 | | Crystal structure of 3-isopropylmalate dehydratase (leuD)from Methhanocaldococcus Jannaschii DSM2661 (MJ1271) | | Descriptor: | DI(HYDROXYETHYL)ETHER, Homoaconitase small subunit, ZINC ION | | Authors: | Jeyakanthan, J, Gayathri, D.R, Velmurugan, D, Agari, Y, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-04-18 | | Release date: | 2008-04-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Substrate specificity determinants of the methanogen homoaconitase enzyme: structure and function of the small subunit
Biochemistry, 49, 2010
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4ISU
 | | Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the antagonist (2R)-IKM-159 at 2.3A resolution. | | Descriptor: | (4aS,5aR,6R,8aS,8bS)-5a-(carboxymethyl)-8-oxo-2,4a,5a,6,7,8,8a,8b-octahydro-1H-pyrrolo[3',4':4,5]furo[3,2-b]pyridine-6-carboxylic acid, CHLORIDE ION, Glutamate receptor 2, ... | | Authors: | Juknaite, L, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2013-01-17 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Studies on an (S)-2-amino-3-(3-hydroxy-5-methyl-4-isoxazolyl)propionic acid (AMPA) receptor antagonist IKM-159: asymmetric synthesis, neuroactivity, and structural characterization.
J.Med.Chem., 56, 2013
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7VI0
 | | Crystal structure of EP300 HAT domain in complex with compound 11 | | Descriptor: | (4S)-N-(3H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-1,1-bis(oxidanylidene)-1,3-thiazolidine-4-carboxamide, Histone acetyltransferase p300, ZINC ION | | Authors: | Takahashi, M, Hanzawa, H. | | Deposit date: | 2021-09-24 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Bioorg.Med.Chem.Lett., 66, 2022
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7VHZ
 | | Crystal structure of EP300 HAT domain in complex with compound 7 | | Descriptor: | (2R)-N-(2H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-pyrrolidine-2-carboxamide, Histone acetyltransferase p300, ZINC ION | | Authors: | Takahashi, M, Hanzawa, H. | | Deposit date: | 2021-09-24 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Bioorg.Med.Chem.Lett., 66, 2022
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7VHY
 | | Crystal structure of EP300 HAT domain in complex with compound (+)-3 | | Descriptor: | Histone acetyltransferase p300, ZINC ION, [(6R)-6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone | | Authors: | Takahashi, M, Hanzawa, H. | | Deposit date: | 2021-09-24 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Bioorg.Med.Chem.Lett., 66, 2022
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2PD2
 | | Crystal structure of (ST0148) conserved hypothetical from Sulfolobus Tokodaii Strain7 | | Descriptor: | Hypothetical protein ST0148 | | Authors: | Jeyakanthan, J, Kanaujia, S.P, Rafi, Z.A, Sekar, K, Agari, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-03-31 | | Release date: | 2007-10-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Crystal structure of (ST0148) conserved hypothetical from Sulfolobus Tokodaii Strain7
To be Published
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