3W32
 
 | | EGFR kinase domain complexed with compound 20a | | Descriptor: | 4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide, Epidermal growth factor receptor, SULFATE ION | | Authors: | Sogabe, S, Kawakita, Y. | | Deposit date: | 2012-12-07 | | Release date: | 2013-03-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors
Bioorg.Med.Chem., 21, 2013
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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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5OLR
 | | Rhamnogalacturonan lyase | | Descriptor: | CALCIUM ION, PHOSPHATE ION, Rhamnogalacturonan lyase, ... | | Authors: | Basle, A, Luis, A.S, Gilbert, H.J. | | Deposit date: | 2017-07-28 | | Release date: | 2017-11-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Dietary pectic glycans are degraded by coordinated enzyme pathways in human colonic Bacteroides.
Nat Microbiol, 3, 2018
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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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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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5OLQ
 | | Rhamnogalacturonan lyase | | Descriptor: | CALCIUM ION, PHOSPHATE ION, Rhamnogalacturonan lyase | | Authors: | Basle, A, Luis, A.S, Gilbert, H.J. | | Deposit date: | 2017-07-28 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Dietary pectic glycans are degraded by coordinated enzyme pathways in human colonic Bacteroides.
Nat Microbiol, 3, 2018
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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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1MKY
 | | Structural Analysis of the Domain Interactions in Der, a Switch Protein Containing Two GTPase Domains | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, Probable GTP-binding protein engA | | Authors: | Robinson, V.L, Hwang, J, Fox, E, Inouye, M, Stock, A.M. | | Deposit date: | 2002-08-29 | | Release date: | 2003-01-14 | | Last modified: | 2015-02-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Domain Arrangement of Der, a Switch Protein Containing Two GTPase Domains
Structure, 10, 2002
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3SFT
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5OLS
 | | Rhamnogalacturonan lyase | | Descriptor: | 4-deoxy-beta-L-threo-hex-4-enopyranuronic acid-(1-2)-alpha-L-rhamnopyranose-(1-4)-beta-D-galactopyranuronic acid, CALCIUM ION, Rhamnogalacturonan lyase, ... | | Authors: | Basle, A, Luis, A.S, Gilbert, H.J. | | Deposit date: | 2017-07-28 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Dietary pectic glycans are degraded by coordinated enzyme pathways in human colonic Bacteroides.
Nat Microbiol, 3, 2018
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4A6R
 | | Crystal structure of the omega transaminase from Chromobacterium violaceum in the apo form, crystallised from polyacrylic acid | | Descriptor: | OMEGA TRANSAMINASE, POLYACRYLIC ACID | | Authors: | Logan, D.T, Hakansson, M, Yengo, K, Svedendahl Humble, M, Engelmark Cassimjee, K, Walse, B, Abedi, V, Federsel, H.-J, Berglund, P. | | Deposit date: | 2011-11-08 | | Release date: | 2012-01-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.349 Å) | | Cite: | Crystal Structures of the Chromobacterium Violaceum Omega-Transaminase Reveal Major Structural Rearrangements Upon Binding of Coenzyme Plp.
FEBS J., 279, 2012
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4A6U
 | | Crystal structure of the omega transaminase from Chromobacterium violaceum in the apo form, crystallised from PEG 3350 | | Descriptor: | OMEGA TRANSAMINASE, SODIUM ION, THIOCYANATE ION | | Authors: | Logan, D.T, Hakansson, M, Yengo, K, Svedendahl Humble, M, Engelmark Cassimjee, K, Walse, B, Abedi, V, Federsel, H.-J, Berglund, P. | | Deposit date: | 2011-11-08 | | Release date: | 2012-01-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.687 Å) | | Cite: | Crystal Structures of the Chromobacterium Violaceum Omega-Transaminase Reveal Major Structural Rearrangements Upon Binding of Coenzyme Plp.
FEBS J., 279, 2012
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4A72
 | | Crystal structure of the omega transaminase from Chromobacterium violaceum in a mixture of apo and PLP-bound states | | Descriptor: | OMEGA TRANSAMINASE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Logan, D.T, Hakansson, M, Yengo, K, Svedendahl Humble, M, Engelmark Cassimjee, K, Walse, B, Abedi, V, Federsel, H.-J, Berglund, P. | | Deposit date: | 2011-11-10 | | Release date: | 2012-01-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of the Chromobacterium Violaceum Omega-Transaminase Reveal Major Structural Rearrangements Upon Binding of Coenzyme Plp.
FEBS J., 279, 2012
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3VHV
 | | Mineralocorticoid receptor ligand-binding domain with non-steroidal antagonist | | Descriptor: | 1,2-ETHANEDIOL, 6-[(1E)-2-phenyl-N-(3-sulfanyl-4H-1,2,4-triazol-4-yl)ethanimidoyl]-2H-1,4-benzoxazin-3(4H)-one, 6-[(7S)-7-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2H-1,4-benzoxazin-3(4H)-one, ... | | Authors: | Sogabe, S, Habuka, N. | | Deposit date: | 2011-09-07 | | Release date: | 2011-12-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Identification of Benzoxazin-3-one Derivatives as Novel, Potent, and Selective Nonsteroidal Mineralocorticoid Receptor Antagonists
J.Med.Chem., 54, 2011
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4A6T
 | | Crystal structure of the omega transaminase from Chromobacterium violaceum in complex with PLP | | Descriptor: | OMEGA TRANSAMINASE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Logan, D.T, Hakansson, M, Yengo, K, Svedendahl Humble, M, Engelmark Cassimjee, K, Walse, B, Abedi, V, Federsel, H.-J, Berglund, P. | | Deposit date: | 2011-11-08 | | Release date: | 2012-01-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structures of the Chromobacterium Violaceum Omega-Transaminase Reveal Major Structural Rearrangements Upon Binding of Coenzyme Plp.
FEBS J., 279, 2012
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3W79
 | | Crystal Structure of azoreductase AzrC in complex with sulfone-modified azo dye Orange I | | Descriptor: | 4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase | | Authors: | Ogata, D, Yu, J, Ooi, T, Yao, M. | | Deposit date: | 2013-02-27 | | Release date: | 2014-02-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of AzrA and of AzrC complexed with substrate or inhibitor: insight into substrate specificity and catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
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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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3W33
 | | EGFR kinase domain complexed with compound 19b | | Descriptor: | 4-{[4-(1-benzothiophen-4-yloxy)-3-chlorophenyl]amino}-N-(2-hydroxyethyl)-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide, Epidermal growth factor receptor, SULFATE ION | | Authors: | Sogabe, S, Kawakita, Y. | | Deposit date: | 2012-12-07 | | Release date: | 2013-03-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors
Bioorg.Med.Chem., 21, 2013
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3W77
 | | Crystal Structure of azoreductase AzrA | | Descriptor: | FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase | | Authors: | Ogata, D, Yu, J, Ooi, T, Yao, M. | | Deposit date: | 2013-02-27 | | Release date: | 2014-02-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structures of AzrA and of AzrC complexed with substrate or inhibitor: insight into substrate specificity and catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
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1J9L
 | | CRYSTAL STRUCTURE OF SURE PROTEIN FROM T.MARITIMA IN COMPLEX WITH VANADATE | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, STATIONARY PHASE SURVIVAL PROTEIN, ... | | Authors: | Suh, S.W, Lee, J.Y, Kwak, J.E, Moon, J. | | Deposit date: | 2001-05-28 | | Release date: | 2001-09-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure and functional analysis of the SurE protein identify a novel phosphatase family.
Nat.Struct.Biol., 8, 2001
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1J9K
 | | CRYSTAL STRUCTURE OF SURE PROTEIN FROM T.MARITIMA IN COMPLEX WITH TUNGSTATE | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, STATIONARY PHASE SURVIVAL PROTEIN, ... | | Authors: | Suh, S.W, Lee, J.Y, Kwak, J.E, Moon, J. | | Deposit date: | 2001-05-27 | | Release date: | 2001-09-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure and functional analysis of the SurE protein identify a novel phosphatase family.
Nat.Struct.Biol., 8, 2001
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2CH7
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2Z4R
 | | Crystal structure of domain III from the Thermotoga maritima replication initiation protein DnaA | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chromosomal replication initiator protein dnaA, MAGNESIUM ION | | Authors: | Fujikawa, N, Ozaki, S, Kagawa, W, Park, S.-Y, Katayama, T, Kurumizaka, H, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-06-25 | | Release date: | 2008-02-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | A Common Mechanism for the ATP-DnaA-dependent Formation of Open Complexes at the Replication Origin
J.Biol.Chem., 283, 2008
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1O2A
 | | Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with FAD at 1.8 A resolution | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX | | Authors: | Mathews, I.I, Deacon, A.M, Canaves, J.M, McMullan, D, Lesley, S.A, Agarwalla, S, Kuhn, P, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2003-02-18 | | Release date: | 2003-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein
Structure, 11, 2003
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1OIF
 | | Family 1 b-glucosidase from Thermotoga maritima | | Descriptor: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, BETA-GLUCOSIDASE | | Authors: | Gloster, T, Zechel, D, Boraston, A.B, Boraston, C.M, Macdonald, J.M, Tilbrook, D.M, Stick, R.V, Davies, G.J. | | Deposit date: | 2003-06-16 | | Release date: | 2003-11-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Iminosugar Glycosidase Inhibitors: Structural and Thermodynamic Dissection of the Binding of Isofagomine and 1-Deoxynojirimycin to Beta-Glucosidases
J.Am.Chem.Soc., 125, 2003
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