3BG4
 
 | | The crystal structure of guamerin in complex with chymotrypsin and the development of an elastase-specific inhibitor | | Descriptor: | Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ... | | Authors: | Kim, H, Chu, T.T.T, Kim, D.Y, Kim, D.R, Nguyen, C.M.T, Choi, J, Lee, J.R, Hahn, M.J, Kim, K.K. | | Deposit date: | 2007-11-26 | | Release date: | 2008-07-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of guamerin in complex with chymotrypsin and the development of an elastase-specific inhibitor.
J.Mol.Biol., 376, 2008
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7CHT
 | | Crystal structure of TTK kinase domain in complex with compound 30 | | Descriptor: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK, MAGNESIUM ION | | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Ko, E.H, Choi, H.G, Son, J.B, Kim, N.D. | | Deposit date: | 2020-07-06 | | Release date: | 2021-05-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
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7CHM
 | | Crystal structure of TTK kinase domain in complex with compound 8 | | Descriptor: | 4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | | Deposit date: | 2020-07-06 | | Release date: | 2021-05-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
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7CHN
 | | Crystal structure of TTK kinase domain in complex with compound 9 | | Descriptor: | 4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | | Deposit date: | 2020-07-06 | | Release date: | 2021-05-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
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7CLH
 | | Crystal structure of TTK kinase domain in complex with compound 19 | | Descriptor: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | | Deposit date: | 2020-07-21 | | Release date: | 2021-05-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
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7CJA
 | | Crystal structure of TTK kinase domain in complex with compound 28 | | Descriptor: | 4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | | Deposit date: | 2020-07-09 | | Release date: | 2021-05-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
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7CIL
 | | Crystal structure of TTK kinase domain in complex with compound 7 | | Descriptor: | 4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | | Deposit date: | 2020-07-07 | | Release date: | 2021-05-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
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5GUY
 | | Structural and functional study of chuY from E. coli CFT073 strain | | Descriptor: | Uncharacterized protein chuY | | Authors: | Kim, H, Choi, J, HA, S.C, Chaurasia, A.K, Kim, D, Kim, K.K. | | Deposit date: | 2016-08-31 | | Release date: | 2017-03-08 | | Method: | X-RAY DIFFRACTION (2.399 Å) | | Cite: | Structural and functional study of ChuY from Escherichia coli strain CFT073
Biochem. Biophys. Res. Commun., 482, 2017
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5ZHF
 | | Structure of VanYB unbound | | Descriptor: | D-alanyl-D-alanine carboxypeptidase, GLYCEROL, TETRAETHYLENE GLYCOL, ... | | Authors: | Kim, H.S, Hahn, H. | | Deposit date: | 2018-03-13 | | Release date: | 2018-09-05 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural basis for the substrate recognition of peptidoglycan pentapeptides by Enterococcus faecalis VanYB.
Int. J. Biol. Macromol., 119, 2018
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5ZHW
 | | VanYB in complex with D-Alanine-D-Alanine | | Descriptor: | COPPER (II) ION, D-ALANINE, D-alanyl-D-alanine carboxypeptidase, ... | | Authors: | Kim, H.S, Hahn, H. | | Deposit date: | 2018-03-13 | | Release date: | 2018-09-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structural basis for the substrate recognition of peptidoglycan pentapeptides by Enterococcus faecalis VanYB.
Int. J. Biol. Macromol., 119, 2018
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1L8O
 | | Molecular basis for the local conformational rearrangement of human phosphoserine phosphatase | | Descriptor: | L-3-phosphoserine phosphatase, PHOSPHATE ION, SERINE | | Authors: | Kim, H.Y, Heo, Y.S, Kim, J.H, Park, M.H, Moon, J, Park, S.Y, Lee, T.G, Jeon, Y.H, Ro, S, Hwang, K.Y. | | Deposit date: | 2002-03-21 | | Release date: | 2003-04-01 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Molecular basis for the local conformational rearrangement of human phosphoserine phosphatase
J.Biol.Chem., 277, 2002
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6A6A
 | | VanYB in complex with D-Alanine | | Descriptor: | ACETATE ION, D-ALANINE, D-alanyl-D-alanine carboxypeptidase, ... | | Authors: | Kim, H.S, Hahn, H. | | Deposit date: | 2018-06-27 | | Release date: | 2018-09-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structural basis for the substrate recognition of peptidoglycan pentapeptides by Enterococcus faecalis VanYB.
Int. J. Biol. Macromol., 119, 2018
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1L8L
 | | Molecular basis for the local confomational rearrangement of human phosphoserine phosphatase | | Descriptor: | D-2-AMINO-3-PHOSPHONO-PROPIONIC ACID, L-3-phosphoserine phosphatase | | Authors: | Kim, H.Y, Heo, Y.S, Kim, J.H, Park, M.H, Moon, J, Park, S.Y, Lee, T.G, Jeon, Y.H, Ro, S, Hwang, K.Y. | | Deposit date: | 2002-03-21 | | Release date: | 2003-04-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Molecular basis for the local conformational rearrangement of human phosphoserine phosphatase.
J.Biol.Chem., 277, 2002
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3RFJ
 | | Design of a binding scaffold based on variable lymphocyte receptors of jawless vertebrates by module engineering | | Descriptor: | Internalin B, repeat modules, Variable lymphocyte receptor, ... | | Authors: | Kim, H.J, Cheong, H.K, Jeon, Y.H. | | Deposit date: | 2011-04-06 | | Release date: | 2012-03-14 | | Last modified: | 2017-08-16 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Design of a binding scaffold based on variable lymphocyte receptors of jawless vertebrates by module engineering
Proc.Natl.Acad.Sci.USA, 109, 2012
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3RFS
 | | Design of a binding scaffold based on variable lymphocyte receptors of jawless vertebrates by module engineering | | Descriptor: | Internalin B, repeat modules, Variable lymphocyte receptor B, ... | | Authors: | Kim, H.J, Cheong, H.K, Jeon, Y.H. | | Deposit date: | 2011-04-06 | | Release date: | 2012-03-14 | | Last modified: | 2017-08-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design of a binding scaffold based on variable lymphocyte receptors of jawless vertebrates by module engineering
Proc.Natl.Acad.Sci.USA, 109, 2012
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6O7F
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4MMN
 | | Structural and biochemical analysis of type II free methionine-R-sulfoxide reductase from Thermoplasma acidophilum | | Descriptor: | Putative uncharacterized protein Ta0848 | | Authors: | Kim, H.S, Kwak, G.H, Lee, K.T, Jo, C.H, Hwang, K.Y, Kim, H.Y. | | Deposit date: | 2013-09-09 | | Release date: | 2014-08-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and biochemical analysis of a type II free methionine-R-sulfoxide reductase from Thermoplasma acidophilum
Arch.Biochem.Biophys., 560, 2014
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5XEQ
 | | Crystal Structure of human MDGA1 and human neuroligin-2 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAM domain-containing glycosylphosphatidylinositol anchor protein 1, ... | | Authors: | Kim, H.M, Kim, J.A, Kim, D. | | Deposit date: | 2017-04-05 | | Release date: | 2017-07-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.136 Å) | | Cite: | Structural Insights into Modulation of Neurexin-Neuroligin Trans-synaptic Adhesion by MDGA1/Neuroligin-2 Complex
Neuron, 94, 2017
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8HEJ
 | | Crystal structure of Transthyretin in complex with a covalent inhibitor trans-styrylpyrazole | | Descriptor: | 2,4,6-trifluorobenzaldehyde, 2,6-dibromo-4-[(E)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethenyl]phenol, Transthyretin | | Authors: | Kim, H, Choi, S, Lee, C. | | Deposit date: | 2022-11-08 | | Release date: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Crystal structure of Transthyretin in complex with a covalent inhibitor trans-styrylpyrazole
To Be Published
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4Q6N
 | | Structural analysis of the tripeptide-bound form of Helicobacter pylori Csd4, a D,L-carboxypeptidase | | Descriptor: | CALCIUM ION, Conserved hypothetical secreted protein, GLYCEROL, ... | | Authors: | Kim, H.S, Kim, J, Im, H.N, An, D.R, Lee, M, Hesek, D, Mobashery, S, Kim, J.Y, Cho, K, Yoon, H.J, Han, B.W, Lee, B.I, Suh, S.W. | | Deposit date: | 2014-04-23 | | Release date: | 2014-11-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural basis for the recognition of muramyltripeptide by Helicobacter pylori Csd4, a D,L-carboxypeptidase controlling the helical cell shape
Acta Crystallogr.,Sect.D, 70, 2014
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4Q6O
 | | Structural analysis of the mDAP-bound form of Helicobacter pylori Csd4, a D,L-carboxypeptidase | | Descriptor: | 2,6-DIAMINOPIMELIC ACID, CALCIUM ION, Conserved hypothetical secreted protein, ... | | Authors: | Kim, H.S, Kim, J, Im, H.N, An, D.R, Lee, M, Hesek, D, Mobashery, S, Kim, J.Y, Cho, K, Yoon, H.J, Han, B.W, Lee, B.I, Suh, S.W. | | Deposit date: | 2014-04-23 | | Release date: | 2014-11-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Structural basis for the recognition of muramyltripeptide by Helicobacter pylori Csd4, a D,L-carboxypeptidase controlling the helical cell shape
Acta Crystallogr.,Sect.D, 70, 2014
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4Q6P
 | | Structural analysis of the Zn-form I of Helicobacter pylori Csd4, a D,L-carboxypeptidase | | Descriptor: | 2,6-DIAMINOPIMELIC ACID, CALCIUM ION, Conserved hypothetical secreted protein, ... | | Authors: | Kim, H.S, Kim, J, Im, H.N, An, D.R, Lee, M, Hesek, D, Mobashery, S, Kim, J.Y, Cho, K, Yoon, H.J, Han, B.W, Lee, B.I, Suh, S.W. | | Deposit date: | 2014-04-23 | | Release date: | 2014-11-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structural basis for the recognition of muramyltripeptide by Helicobacter pylori Csd4, a D,L-carboxypeptidase controlling the helical cell shape
Acta Crystallogr.,Sect.D, 70, 2014
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4MN7
 | | Structural and biochemical analysis of type II free methionine-R-sulfoxide reductase from Thermoplasma acidophilum | | Descriptor: | METHIONINE SULFOXIDE, Putative uncharacterized protein Ta0848 | | Authors: | Kim, H.S, Kwak, G.H, Lee, K.T, Jo, C.H, Hwang, K.Y, Kim, H.Y. | | Deposit date: | 2013-09-10 | | Release date: | 2014-08-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and biochemical analysis of a type II free methionine-R-sulfoxide reductase from Thermoplasma acidophilum
Arch.Biochem.Biophys., 560, 2014
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2Z63
 | | Crystal structure of the TV8 hybrid of human TLR4 and hagfish VLRB.61 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 4, ... | | Authors: | Kim, H.M, Park, B.S, Lee, J.-O. | | Deposit date: | 2007-07-22 | | Release date: | 2007-09-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of the TLR4-MD-2 Complex with Bound Endotoxin Antagonist Eritoran
Cell(Cambridge,Mass.), 130, 2007
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4Q6Q
 | | Structural analysis of the Zn-form II of Helicobacter pylori Csd4, a D,L-carboxypeptidase | | Descriptor: | 2,6-DIAMINOPIMELIC ACID, CALCIUM ION, Conserved hypothetical secreted protein, ... | | Authors: | Kim, H.S, Kim, J, Im, H.N, An, D.R, Lee, M, Hesek, D, Mobashery, S, Kim, J.Y, Cho, K, Yoon, H.J, Han, B.W, Lee, B.I, Suh, S.W. | | Deposit date: | 2014-04-23 | | Release date: | 2014-11-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for the recognition of muramyltripeptide by Helicobacter pylori Csd4, a D,L-carboxypeptidase controlling the helical cell shape
Acta Crystallogr.,Sect.D, 70, 2014
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