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PDB: 16 results

8SJK
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BU of 8sjk by Molmil
Pembrolizumab Caffeine crystal
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY HEAVY CHAIN, ANTIBODY LIGHT CHAIN, ...
Authors:Larpent, P, Codan, L, Bothe, J.R, Stueber, D, Reichert, P, Fischmann, T, Su, Y, Pabit, S, Gupta, S, Iuzzolino, L, Cote, A.
Deposit date:2023-04-18
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Smaall angle X-ray scattering as powerful toolsfor phase and crystallinity assessment of monoclonal antibodies crystallites in support of batch crystallization and processing
To Be Published
4NP4
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Clostridium difficile toxin B CROP domain in complex with FAB domains of neutralizing antibody bezlotoxumab
Descriptor: Toxin B, bezlotoxumab heavy chain, bezlotoxumab light chain
Authors:Orth, P, Xiao, L, Hernandez, L.D, Reichert, P, Sheth, P, Beaumont, M, Murgolo, N, Ermakov, G, DiNunzio, E, Racine, F, Karczewski, J, Secore, S, Ingram, R.N, Mayhood, T, Strickland, C, Therien, A.G.
Deposit date:2013-11-20
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Mechanism of Action and Epitopes of Clostridium difficile Toxin B-neutralizing Antibody Bezlotoxumab Revealed by X-ray Crystallography.
J.Biol.Chem., 289, 2014
4ZAE
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BU of 4zae by Molmil
Development of a novel class of potent and selective FIXa inhibitors
Descriptor: 2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Coagulation factor IX, ...
Authors:Hruza, A, Reichert, P.
Deposit date:2015-04-13
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Development of a novel class of potent and selective FIXa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
2INT
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BU of 2int by Molmil
CRYSTAL STRUCTURE OF RECOMBINANT HUMAN INTERLEUKIN-4
Descriptor: INTERLEUKIN-4
Authors:Walter, M.R, Cook, W.J, Zhao, B.G, Cameron Junior, R, Ealick, S.E, Walter Junior, R.L, Reichert, P, Nagabhushan, T.L, Trotta, P.P, Bugg, C.E.
Deposit date:1993-07-22
Release date:1994-01-31
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of recombinant human interleukin-4.
J.Biol.Chem., 267, 1992
5TNT
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BU of 5tnt by Molmil
Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Coagulation factor IX, N-[(1S,4S,7R)-2-(3-amino-4-chloro[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-(3-methyl-1H-1,2,4-triazol-1-yl)benzamide, ...
Authors:Sakurada, I, Endo, T, Hikita, K, Hirabayashi, T, Hosaka, Y, Kato, Y, Maeda, Y, Matsumoto, S, Mizuno, T, Nagasue, A, Nishimura, T, Shimada, S, Shinozaki, M, Taguchi, K, Takeuchi, K, Yokoyama, T, Hruza, A, Reichert, P, Zhang, T, Wood, H.B, Nakao, K, Furusako, S.
Deposit date:2016-10-14
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5TNO
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BU of 5tno by Molmil
Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Coagulation factor IX, SODIUM ION, ...
Authors:Sakurada, I, Endo, T, Hikita, K, Hirabayashi, T, Hosaka, Y, Kato, Y, Maeda, Y, Matsumoto, S, Mizuno, T, Nagasue, H, Nishimura, T, Shimada, S, Shinozaki, M, Taguchi, K, Takeuchi, K, Yokoyama, T, Hruza, A, Reichert, P, Zhang, T, Wood, H.B, Nakao, K, Furusako, S.
Deposit date:2016-10-14
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
6X5J
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BU of 6x5j by Molmil
Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors
Descriptor: 2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, Coagulation factor IX, ...
Authors:Jayne, C.L, Andreani, T, Chan, T, Chelliah, M.V, Clasby, M.C, Dwyer, M, Eagen, K.A, Fried, S, Greenlee, W.J, Guo, Z, Hawes, B, Hruza, A, Ingram, R, Keertikar, K.M, Neelamkavil, S, Reichert, P, Xia, Y, Chackalamannil, S.
Deposit date:2020-05-26
Release date:2020-06-24
Method:X-RAY DIFFRACTION (2.513 Å)
Cite:Discovery of hydroxy pyrimidine Factor IXa inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6X5L
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BU of 6x5l by Molmil
Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors
Descriptor: 4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide, CITRIC ACID, Coagulation factor IX, ...
Authors:Jayne, C.L, Andreani, T, Chan, T, Chelliah, M.V, Clasby, M.C, Dwyer, M, Eagen, K.A, Fried, S, Greenlee, W.J, Guo, Z, Hawes, B, Hruza, A, Ingram, R, Keertikar, K.M, Neelamkavil, S, Reichert, P, Xia, Y, Chackalamannil, S.
Deposit date:2020-05-26
Release date:2020-06-24
Method:X-RAY DIFFRACTION (2.246 Å)
Cite:Discovery of hydroxy pyrimidine Factor IXa inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6X5P
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BU of 6x5p by Molmil
Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors
Descriptor: 3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide, CITRIC ACID, Coagulation factor IX, ...
Authors:Jayne, C.L, Andreani, T, Chan, T, Chelliah, M.V, Clasby, M.C, Dwyer, M, Eagen, K.A, Fried, S, Greenlee, W.J, Guo, Z, Hawes, B, Hruza, A, Ingram, R, Keertikar, K.M, Neelamkavil, S, Reichert, P, Xia, Y, Chackalamannil, S.
Deposit date:2020-05-26
Release date:2020-06-24
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Discovery of hydroxy pyrimidine Factor IXa inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
1R55
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BU of 1r55 by Molmil
Crystal structure of the catalytic domain of human ADAM 33
Descriptor: (2S,3R)-N~4~-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide, ADAM 33, CALCIUM ION, ...
Authors:Orth, P, Reichert, P, Wang, W, Prosise, W.W, Yarosh-Tomaine, T, Hammond, G, Xiao, L, Mirza, U.A, Zou, J, Strickland, C, Taremi, S.S, Le, H.V, Madison, V.
Deposit date:2003-10-09
Release date:2004-10-12
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structre of the catalytic domain of human ADAM33
J.Mol.Biol., 335, 2004
4YZU
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BU of 4yzu by Molmil
Rapid development of two Factor IXa inhibitors from Hit to Lead
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Coagulation factor IX, ...
Authors:Hruza, A, Reichert, P.
Deposit date:2015-03-25
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Rapid development of two factor IXa inhibitors from hit to lead.
Bioorg.Med.Chem.Lett., 25, 2015
4Z0K
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BU of 4z0k by Molmil
Rapid development of two Factor IXa inhibitors from Hit to Lead
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Coagulation factor IX, ...
Authors:Hruza, A, Reichert, P.
Deposit date:2015-03-26
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Rapid development of two factor IXa inhibitors from hit to lead.
Bioorg.Med.Chem.Lett., 25, 2015
5EGM
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BU of 5egm by Molmil
Development of a novel tricyclic class of potent and selective FIXa inhibitors
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-chloranyl-~{N}-[(7~{S})-2-methyl-7-phenyl-10-(1~{H}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{H}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide, Coagulation factor IX, ...
Authors:Meng, D, Andre, P, Bateman, T.J, Berger, R, Chen, Y, Desai, K, Dewnani, S, Ellsworth, K, Feng, D, Geissler, W.M, Guo, L, Hruza, A, Jian, T, Li, H, Parker, D.L, Reichert, P, Sherer, E.C, Smith, C.J, Sonatore, L.M, Tschirret-Guth, R, Wu, J, Xu, J, Zhang, T, Campeau, L, Orr, R, Poirier, M, McCabe-Dunn, j, Araki, K, Nishimura, T, Sakurada, I, Hirabayashi, T, Wood, H.B.
Deposit date:2015-10-27
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.841 Å)
Cite:Development of a novel tricyclic class of potent and selective FIXa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
3D87
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BU of 3d87 by Molmil
Crystal structure of Interleukin-23
Descriptor: Interleukin-12 subunit p40, Interleukin-23 subunit p19, PHOSPHATE ION, ...
Authors:Beyer, B.M, Ingram, R, Ramanathan, L, Reichert, P, Le, H, Madison, V.
Deposit date:2008-05-22
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of the pro-inflammatory cytokine interleukin-23 and its complex with a high-affinity neutralizing antibody
J.Mol.Biol., 382, 2008
3D85
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Crystal structure of IL-23 in complex with neutralizing FAB
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, FAB of antibody 7G10, heavy chain, ...
Authors:Beyer, B.M, Ingram, R, Ramanathan, L, Reichert, P, Le, H, Madison, V.
Deposit date:2008-05-22
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of the pro-inflammatory cytokine interleukin-23 and its complex with a high-affinity neutralizing antibody
J.Mol.Biol., 382, 2008
5DK3
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BU of 5dk3 by Molmil
Crystal Structure of Pembrolizumab, a full length IgG4 antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain, ...
Authors:Scapin, G, Prosise, W, Reichert, P.
Deposit date:2015-09-02
Release date:2015-11-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structure of full-length human anti-PD1 therapeutic IgG4 antibody pembrolizumab.
Nat.Struct.Mol.Biol., 22, 2015

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