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6FNZ
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BU of 6fnz by Molmil
Crystal Structure of domain-swapped C-terminal domain of human doublecortin
Descriptor: Neuronal migration protein doublecortin, possible peptide
Authors:Stihle, M, Benz, J, Rudolph, M.G.
Deposit date:2018-02-05
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Domain swap in the C-terminal ubiquitin-like domain of human doublecortin.
Acta Crystallogr D Struct Biol, 74, 2018
6FER
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BU of 6fer by Molmil
Crystal Structure of human DDR2 kinase in complex with 2-[4,5-difluoro-2-oxo-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
Descriptor: 2-[4,5-bis(fluoranyl)-2-oxidanylidene-1'-(1~{H}-pyrazolo[3,4-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, Discoidin domain-containing receptor 2
Authors:Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
Deposit date:2018-01-03
Release date:2018-11-28
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
6FIL
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BU of 6fil by Molmil
DDR1, 2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide, 1.730A, P212121, Rfree=24.5%
Descriptor: 2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION
Authors:Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
Deposit date:2018-01-19
Release date:2018-11-28
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
6FEX
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BU of 6fex by Molmil
DDR1, 2-[4-bromo-2-oxo-1'-(1H-pyrazolo[4,3-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide, 1.291A, P212121, Rfree=17.4%
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[4-bromanyl-2-oxidanylidene-1'-(1~{H}-pyrazolo[4,3-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, CHLORIDE ION, ...
Authors:Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
Deposit date:2018-01-03
Release date:2018-11-28
Last modified:2020-12-16
Method:X-RAY DIFFRACTION (1.291 Å)
Cite:DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
6FIN
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BU of 6fin by Molmil
DDR1, 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1H-indazole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, 1.670A, P1211, Rfree=22.8%
Descriptor: 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1~{H}-indazol-5-ylcarbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, Epithelial discoidin domain-containing receptor 1, IODIDE ION
Authors:Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
Deposit date:2018-01-19
Release date:2018-11-28
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
6FIQ
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BU of 6fiq by Molmil
DDR1, 1-(1H-indazole-5-carbonyl)-5'-methoxy-1'-[2-oxo-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one, 1.790A, P212121, Rfree=23.8%
Descriptor: 1-(1~{H}-indazol-5-ylcarbonyl)-5'-methoxy-1'-[2-oxidanylidene-2-[(2~{S})-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one, CHLORIDE ION, Epithelial discoidin domain-containing receptor 1
Authors:Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
Deposit date:2018-01-19
Release date:2018-11-28
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
6FEW
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BU of 6few by Molmil
DDR1, 2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide, 1.440A, P1211, Rfree=24.1%
Descriptor: 2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide, Epithelial discoidin domain-containing receptor 1
Authors:Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
Deposit date:2018-01-03
Release date:2018-11-28
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
6FIO
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BU of 6fio by Molmil
DDR1, 2-[1'-(1H-indazole-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide, 1.990A, P6522, Rfree=27.7%
Descriptor: 2-[1'-(1~{H}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, Epithelial discoidin domain-containing receptor 1
Authors:Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
Deposit date:2018-01-19
Release date:2018-11-28
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
1NU6
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BU of 1nu6 by Molmil
Crystal structure of human Dipeptidyl Peptidase IV (DPP-IV)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase IV, MERCURY (II) ION
Authors:Hennig, M, Stihle, M, Thoma, R, Ruf, A.
Deposit date:2003-01-31
Release date:2003-08-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis of Proline-Specific Exopeptidase Activity as Observed in Human Dipeptidyl Peptidase-IV.
Structure, 11, 2003
1NU8
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BU of 1nu8 by Molmil
Crystal structure of human dipeptidyl peptidase IV (DPP-IV) in complex with Diprotin A (IPI)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-mer peptide, Dipeptidyl peptidase IV
Authors:Thoma, R, Loeffler, B, Stihle, M, Huber, W, Ruf, A, Hennig, M.
Deposit date:2003-01-31
Release date:2003-08-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis of Proline-Specific Exopeptidase Activity as Observed in Human Dipeptidyl Peptidase-IV.
Structure, 11, 2003
5M5E
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BU of 5m5e by Molmil
Crystal structure of a interleukin-2 variant in complex with interleukin-2 receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Klein, C, Freimoser-Grundschober, A, Waldhauer, I, Stihle, M, Birk, M, Benz, J.
Deposit date:2016-10-21
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cergutuzumab amunaleukin (CEA-IL2v), a CEA-targeted IL-2 variant-based immunocytokine for combination cancer immunotherapy: Overcoming limitations of aldesleukin and conventional IL-2-based immunocytokines.
Oncoimmunology, 6, 2017
2BOK
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BU of 2bok by Molmil
Factor Xa - cation
Descriptor: COAGULATION FACTOR X, SODIUM ION, [AMINO (4-{(3AS,4R,8AS,8BR)-1,3-DIOXO-2- [3-(TRIMETHYLAMMONIO) PROPYL]DECAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL}PHENYL) METHYLENE]AMMONIUM
Authors:Morgenthaler, M, Schaerer, K, Paulini, R, Obst-Sander, U, Banner, D.W, Schlatter, D, Benz, J, Stihle, M, Diederich, F.
Deposit date:2005-04-12
Release date:2005-06-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Quantification of Cation-Pi Interactions in Protein-Ligand Complexes: Crystal-Structure Analysis of Factor Xa Bound to a Quaternary Ammonium Ion Ligand
Angew.Chem.Int.Ed.Engl., 44, 2005
2BIU
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BU of 2biu by Molmil
Crystal structure of human cyclophilin D at 1.7 A resolution, DMSO complex
Descriptor: DIMETHYL SULFOXIDE, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
Authors:Hennig, M, Thoma, R, Stihle, M, Schlatter, D.
Deposit date:2005-01-26
Release date:2005-01-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Crystal Engineering Yields Crystals of Cyclophilin D Diffracting to 1.7 A Resolution
Acta Crystallogr.,Sect.D, 61, 2005
2BIT
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BU of 2bit by Molmil
Crystal structure of human cyclophilin D at 1.7 A resolution
Descriptor: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
Authors:Hennig, M, Thoma, R, Stihle, M, Schlatter, D.
Deposit date:2005-01-26
Release date:2005-01-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Crystal Engineering Yields Crystals of Cyclophilin D Diffracting to 1.7 A Resolution
Acta Crystallogr.,Sect.D, 61, 2005
2DEB
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BU of 2deb by Molmil
Crystal structure of rat carnitine palmitoyltransferase 2 in space group C2221
Descriptor: COENZYME A, Carnitine O-palmitoyltransferase II, mitochondrial, ...
Authors:Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M.
Deposit date:2006-02-10
Release date:2007-02-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The crystal structure of carnitine palmitoyltransferase 2 and implications for diabetes treatment
Structure, 14, 2006
4MZO
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BU of 4mzo by Molmil
Mouse cathepsin s with covalent ligand (3S,4S)-N-[(2E)-2-IMINOETHYL]-4-(MORPHOLIN-4-YLCARBONYL)-1-(PHENYLSULFONYL)PYRROLIDINE-3-CARBOXAMIDE
Descriptor: (3S,4S)-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide, Cathepsin S
Authors:Kuglstatter, A, Stihle, M.
Deposit date:2013-09-30
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Identification of potent and selective cathepsin S inhibitors containing different central cyclic scaffolds.
J.Med.Chem., 56, 2013
4MZS
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BU of 4mzs by Molmil
Mouse cathepsin s with covalent ligand (3S,4S)-1-[(2-CHLOROPHENYL)SULFONYL]-N-[(2E)-2-IMINOETHYL]-4-(MORPHOLIN-4-YLCARBONYL)PYRROLIDINE-3-CARBOXAMIDE
Descriptor: (3S,4S)-1-[(2-chlorophenyl)sulfonyl]-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)pyrrolidine-3-carboxamide, Cathepsin S
Authors:Kuglstatter, A, Stihle, M.
Deposit date:2013-09-30
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of potent and selective cathepsin S inhibitors containing different central cyclic scaffolds.
J.Med.Chem., 56, 2013
2FYO
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BU of 2fyo by Molmil
Crystal structure of rat carnitine palmitoyltransferase 2 in space group P43212
Descriptor: Carnitine O-palmitoyltransferase II, mitochondrial
Authors:Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M.
Deposit date:2006-02-08
Release date:2007-02-08
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of carnitine palmitoyltransferase 2 and implications for diabetes treatment
Structure, 14, 2006
2FVJ
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BU of 2fvj by Molmil
A novel anti-adipogenic partial agonist of peroxisome proliferator-activated receptor-gamma (PPARG) recruits pparg-coactivator-1 alpha (PGC1A) but potentiates insulin signaling in vitro
Descriptor: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-4-{[4-(2-METHOXYPHENYL)PIPERIDIN-1-YL]METHYL}ISOQUINOLINE, GLYCEROL, Nuclear receptor coactivator 1, ...
Authors:Benz, J, Burgermeister, E, Flament, A, Schnoebelen, A, Stihle, M, Gsell, B, Rufer, A, Ruf, A, Kuhn, B, Maerki, H.P, Mizrahi, J, Sebokova, E, Niesor, E, Meyer, M.
Deposit date:2006-01-31
Release date:2006-05-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A novel partial agonist of peroxisome proliferator-activated receptor-gamma (PPARgamma) recruits PPARgamma-coactivator-1alpha, prevents triglyceride accumulation, and potentiates insulin signaling in vitro
Mol.Endocrinol., 20, 2006
2FW3
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BU of 2fw3 by Molmil
Crystal structure of rat carnitine palmitoyltransferase 2 in complex with antidiabetic drug ST1326
Descriptor: (3R)-3-{[(TETRADECYLAMINO)CARBONYL]AMINO}-4-(TRIMETHYLAMMONIO)BUTANOATE, Carnitine O-palmitoyltransferase II, mitochondrial
Authors:Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M.
Deposit date:2006-02-01
Release date:2007-02-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of carnitine palmitoyltransferase 2 and implications for diabetes treatment
Structure, 14, 2006
3ZKN
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BU of 3zkn by Molmil
BACE2 FAB INHIBITOR COMPLEX
Descriptor: 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide, BETA-SECRETASE 2, DIMETHYL SULFOXIDE, ...
Authors:Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
Deposit date:2013-01-23
Release date:2013-05-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
5IO9
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BU of 5io9 by Molmil
X-RAY STRUCTURE OF THE N-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN
Descriptor: Neuronal migration protein doublecortin
Authors:Ruf, A, Benz, J, Burger, D, D'Arcy, B, Debulpaep, M, Di Lello, P, Fry, D, Huber, W, Kremer, T, Laeremans, T, Matile, H, Ross, A, Rudolph, M.G, Rufer, A.C, Sharma, A, Steinmetz, M.O, Steyaert, J, Schoch, G, Stihle, M, Thoma, R.
Deposit date:2016-03-08
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies.
J.Biol.Chem., 291, 2016
5IP4
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BU of 5ip4 by Molmil
X-RAY STRUCTURE OF THE C-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN
Descriptor: Neuronal migration protein doublecortin, XA4551 NANOBODY AGAINST C-DCX
Authors:Ruf, A, Benz, J, Burger, D, D'Arcy, B, Debulpaep, M, Di Lello, P, Fry, D, Huber, W, Kremer, T, Laeremans, T, Matile, H, Ross, A, Rudolph, M.G, Rufer, A.C, Sharma, A, Steinmetz, M.O, Steyaert, J, Schoch, G, Stihle, M, Thoma, R.
Deposit date:2016-03-09
Release date:2016-05-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies.
J.Biol.Chem., 291, 2016
5IN7
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BU of 5in7 by Molmil
X-RAY STRUCTURE OF THE N-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN
Descriptor: Neuronal migration protein doublecortin
Authors:Ruf, A, Benz, J, Burger, D, D'Arcy, B, Debulpaep, M, Di Lello, P, Fry, D, Huber, W, Kremer, T, Laeremans, T, Matile, H, Ross, A, Rudolph, M.G, Rufer, A.C, Sharma, A, Steinmetz, M.O, Steyaert, J, Schoch, G, Stihle, M, Thoma, R.
Deposit date:2016-03-07
Release date:2016-03-23
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies.
J.Biol.Chem., 291, 2016
5IOI
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BU of 5ioi by Molmil
X-RAY STRUCTURE OF THE N-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN
Descriptor: Neuronal migration protein doublecortin
Authors:Ruf, A, Benz, J, Burger, D, D'Arcy, B, Debulpaep, M, Di Lello, P, Fry, D, Huber, W, Kremer, T, Laeremans, T, Matile, H, Ross, A, Rudolph, M.G, Rufer, A.C, Sharma, A, Steinmetz, M.O, Steyaert, J, Schoch, G, Stihle, M, Thoma, R.
Deposit date:2016-03-08
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies.
J.Biol.Chem., 291, 2016

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