3A90
 
 | | Crystal structure of hen egg white lysozyme soaked with 1mM RhCl3 | | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | | Authors: | Abe, S, Koshiyama, T, Ohki, T, Hikage, T, Watanabe, Y, Ueno, T. | | Deposit date: | 2009-10-15 | | Release date: | 2010-03-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Elucidation of Metal-Ion Accumulation Induced by Hydrogen Bonds on Protein Surfaces by Using Porous Lysozyme Crystals Containing Rh(III) Ions as the Model Surfaces
Chemistry, 16, 2010
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3A94
 | | Crystal structure of hen egg white lysozyme soaked with 100mM RhCl3 | | Descriptor: | CHLORIDE ION, Lysozyme C, RHODIUM(III) ION, ... | | Authors: | Abe, S, Koshiyama, T, Ohki, T, Hikage, T, Watanabe, Y, Ueno, T. | | Deposit date: | 2009-10-15 | | Release date: | 2010-03-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Elucidation of Metal-Ion Accumulation Induced by Hydrogen Bonds on Protein Surfaces by Using Porous Lysozyme Crystals Containing Rh(III) Ions as the Model Surfaces
Chemistry, 16, 2010
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3A91
 | | Crystal structure of hen egg white lysozyme soaked with 5mM RhCl3 | | Descriptor: | CHLORIDE ION, Lysozyme C, RHODIUM(III) ION, ... | | Authors: | Abe, S, Koshiyama, T, Ohki, T, Hikage, T, Watanabe, Y, Ueno, T. | | Deposit date: | 2009-10-15 | | Release date: | 2010-03-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Elucidation of Metal-Ion Accumulation Induced by Hydrogen Bonds on Protein Surfaces by Using Porous Lysozyme Crystals Containing Rh(III) Ions as the Model Surfaces
Chemistry, 16, 2010
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3A8Z
 | | Crystal structure of hen egg white lysozyme | | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | | Authors: | Abe, S, Koshiyama, T, Ohki, T, Hikage, T, Watanabe, Y, Ueno, T. | | Deposit date: | 2009-10-15 | | Release date: | 2010-03-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Elucidation of Metal-Ion Accumulation Induced by Hydrogen Bonds on Protein Surfaces by Using Porous Lysozyme Crystals Containing Rh(III) Ions as the Model Surfaces
Chemistry, 16, 2010
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3A96
 | | Crystal structure of hen egg white lysozyme soaked with 100mM RhCl3 at pH2.2 | | Descriptor: | CHLORIDE ION, Lysozyme C, RHODIUM(III) ION, ... | | Authors: | Abe, S, Koshiyama, T, Ohki, T, Hikage, T, Watanabe, Y, Ueno, T. | | Deposit date: | 2009-10-15 | | Release date: | 2010-03-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Elucidation of Metal-Ion Accumulation Induced by Hydrogen Bonds on Protein Surfaces by Using Porous Lysozyme Crystals Containing Rh(III) Ions as the Model Surfaces
Chemistry, 16, 2010
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2EF2
 | | Crystal Structure of an Artificial Metalloprotein:Rh(Phebox-Ph)/apo-A71G Myoglobin | | Descriptor: | Myoglobin, PHOSPHATE ION, [2,6-BIS(4-PHENYL)-1,3-OXAZOLIN-2-YL]RHODIUM(III) | | Authors: | Abe, S, Satake, Y, Okazaki, S, Ueno, T, Hikage, T, Suzuki, A, Yamane, T, Nakajima, H, Watanabe, Y. | | Deposit date: | 2007-02-20 | | Release date: | 2007-10-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Incorporation of a Phebox Rhodium Complex into apo-Myoglobin Affords a Stable Organometallic Protein Showing Unprecedented Arrangement of the Complex in the Cavity
ORGANOMETALLICS, 26, 2007
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4PF3
 | | Mineralocorticoid receptor ligand-binding domain with compuond 37a | | Descriptor: | 1,2-ETHANEDIOL, 6-[1-(2,2-difluoro-3-hydroxypropyl)-5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one, Mineralocorticoid receptor | | Authors: | Sogabe, S, Habuka, N. | | Deposit date: | 2014-04-28 | | Release date: | 2014-11-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Discovery of 6-[5-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-benzoxazin-3-one derivatives as novel selective nonsteroidal mineralocorticoid receptor antagonists
Bioorg.Med.Chem., 22, 2014
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7DBJ
 | | Crystal structure of human LDHB in complex with NADH, oxamate, and AXKO-0046 | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase B chain, ... | | Authors: | Sogabe, S, Miwa, M. | | Deposit date: | 2020-10-20 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.551 Å) | | Cite: | Identification of the first highly selective inhibitor of human lactate dehydrogenase B.
Sci Rep, 11, 2021
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7DBK
 | | Crystal structure of human LDHB in complex with NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-lactate dehydrogenase B chain | | Authors: | Sogabe, S, Miwa, M. | | Deposit date: | 2020-10-20 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | Identification of the first highly selective inhibitor of human lactate dehydrogenase B.
Sci Rep, 11, 2021
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3VHU
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7D2R
 | | Crystal structure of Agrobacterium tumefaciens aconitase X mutant - S449C/C510V | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, SODIUM ION, ... | | Authors: | Murase, Y, Watanabe, Y, Watanabe, S. | | Deposit date: | 2020-09-17 | | Release date: | 2021-06-16 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.005 Å) | | Cite: | Crystal structures of aconitase X enzymes from bacteria and archaea provide insights into the molecular evolution of the aconitase superfamily.
Commun Biol, 4, 2021
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1CO6
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1IO3
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7C0E
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7C0C
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7C0D
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7CNQ
 | | Crystal structure of Agrobacterium tumefaciens aconitase X (holo-form) | | Descriptor: | (2~{S},3~{R})-3-oxidanylpyrrolidine-2-carboxylic acid, FE2/S2 (INORGANIC) CLUSTER, cis-3-hydroxy-L-proline dehydratase | | Authors: | Murase, Y, Watanabe, Y, Watanabe, S. | | Deposit date: | 2020-08-03 | | Release date: | 2021-06-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of aconitase X enzymes from bacteria and archaea provide insights into the molecular evolution of the aconitase superfamily.
Commun Biol, 4, 2021
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7CNR
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7CNP
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7CNS
 | | Crystal structure of Thermococcus kodakaraensis aconitase X (holo-form) | | Descriptor: | (3R)-3-HYDROXY-3-METHYL-5-(PHOSPHONOOXY)PENTANOIC ACID, DUF521 domain-containing protein, FE3-S4 CLUSTER, ... | | Authors: | Murase, Y, Watanabe, Y, Watanabe, S. | | Deposit date: | 2020-08-03 | | Release date: | 2021-06-16 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.902 Å) | | Cite: | Crystal structures of aconitase X enzymes from bacteria and archaea provide insights into the molecular evolution of the aconitase superfamily.
Commun Biol, 4, 2021
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3WFF
 | | Mineralocorticoid receptor ligand-binding domain with compound 2b | | Descriptor: | 6-[4-(2,4-difluorophenyl)-5-oxo-2,5-dihydrofuran-3-yl]-2H-1,4-benzoxazin-3(4H)-one, Mineralocorticoid receptor, PHOSPHATE ION | | Authors: | Sogabe, S, Habuka, N. | | Deposit date: | 2013-07-19 | | Release date: | 2013-08-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Design, synthesis, and structure-activity relationships of dihydrofuran-2-one and dihydropyrrol-2-one derivatives as novel benzoxazin-3-one-based mineralocorticoid receptor antagonists.
Bioorg.Med.Chem., 21, 2013
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7F3O
 | | Crystal structure of the GluA2o LBD in complex with glutamate and TAK-653 | | Descriptor: | 7-(4-cyclohexyloxyphenyl)-9-methyl-4$l^{6}-thia-1$l^{4},5,8-triazabicyclo[4.4.0]deca-1(10),6,8-triene 4,4-dioxide, ACETATE ION, GLUTAMIC ACID, ... | | Authors: | Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G. | | Deposit date: | 2021-06-16 | | Release date: | 2021-07-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Strictly regulated agonist-dependent activation of AMPA-R is the key characteristic of TAK-653 for robust synaptic responses and cognitive improvement.
Sci Rep, 11, 2021
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3WFG
 | | Mineralocorticoid receptor ligand-binding domain with compuond 2e | | Descriptor: | 1,2-ETHANEDIOL, 6-[(2S)-4-(4-fluorophenyl)-2-methyl-5-oxo-2,5-dihydrofuran-3-yl]-2H-1,4-benzoxazin-3(4H)-one, Mineralocorticoid receptor | | Authors: | Sogabe, S, Habuka, N. | | Deposit date: | 2013-07-19 | | Release date: | 2013-08-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Design, synthesis, and structure-activity relationships of dihydrofuran-2-one and dihydropyrrol-2-one derivatives as novel benzoxazin-3-one-based mineralocorticoid receptor antagonists.
Bioorg.Med.Chem., 21, 2013
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6Z48
 | | Crystal structure of Thrombin in complex with macrocycle X1vE | | Descriptor: | 5-chloranyl-N-[[(4S,15R)-2,5,13,16-tetrakis(oxidanylidene)-15-propan-2-yl-9,10-dithia-3,6,14,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-4-yl]methyl]thiophene-2-carboxamide, SODIUM ION, Thrombin heavy chain, ... | | Authors: | Angelini, A, Habeshian, S, Heinis, C, Cendron, L. | | Deposit date: | 2020-05-23 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Synthesis and direct assay of large macrocycle diversities by combinatorial late-stage modification at picomole scale.
Nat Commun, 13, 2022
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3WIX
 | | Crystal structure of Mcl-1 in complex with compound 4 | | Descriptor: | 7-(4-carboxyphenyl)-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 (1.9 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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