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4CRB
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BU of 4crb by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
分子名称: COAGULATION FACTOR XI, GLYCEROL, N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ...
著者Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
登録日2014-02-26
公開日2015-02-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRC
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BU of 4crc by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
分子名称: (2S)-2-[[(E)-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenyl-N-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]propanamide, COAGULATION FACTOR XI, SULFATE ION
著者Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
登録日2014-02-26
公開日2015-02-11
最終更新日2015-08-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRD
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BU of 4crd by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
分子名称: COAGULATION FACTOR XI, Methyl N-[4-[5-chloro-2-[[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]methyl]-1H-imidazol-4-yl]phenyl]carbamate, SULFATE ION
著者Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
登録日2014-02-26
公開日2015-02-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
6RQW
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BU of 6rqw by Molmil
X-ray crystal structure of perdeuterated (D) small monoclinic unit cell CA IX SV.
分子名称: Carbonic anhydrase 9, FORMIC ACID, ZINC ION
著者Fisher, Z, Koruza, K.
登録日2019-05-16
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.488 Å)
主引用文献Structural comparison of protiated, H/D-exchanged and deuterated human carbonic anhydrase IX.
Acta Crystallogr D Struct Biol, 75, 2019
6ZPE
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BU of 6zpe by Molmil
Nonstructural protein 10 (nsp10) from SARS CoV-2
分子名称: CHLORIDE ION, GLYCEROL, Replicase polyprotein 1ab, ...
著者Fisher, S.Z, Kozielski, F.
登録日2020-07-08
公開日2020-10-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal Structure of Non-Structural Protein 10 from Severe Acute Respiratory Syndrome Coronavirus-2.
Int J Mol Sci, 21, 2020
6Y74
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BU of 6y74 by Molmil
X-ray crystal structure of human carbonic anhydrase IX catalytic domain.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CHLORIDE ION, ...
著者Fisher, S.Z, Koruza, K.
登録日2020-02-28
公開日2020-08-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Biophysical Characterization of Cancer-Related Carbonic Anhydrase IX
Int J Mol Sci, 21, 2020
3PO1
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BU of 3po1 by Molmil
Thrombin in complex with Benzothiazole Guanidine
分子名称: ACETATE ION, SODIUM ION, Thrombin heavy chain, ...
著者Xue, Y.
登録日2010-11-21
公開日2011-11-23
最終更新日2012-07-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery of benzothiazole guanidines as novel inhibitors of thrombin and trypsin IV.
Bioorg.Med.Chem.Lett., 22, 2012
6RQN
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BU of 6rqn by Molmil
X-ray crystal structure of protiated (H) small monoclinic unit cell CA IX SV.
分子名称: ACETATE ION, Carbonic anhydrase 9, ZINC ION
著者Fisher, Z, Koruza, K.
登録日2019-05-16
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.777 Å)
主引用文献Structural comparison of protiated, H/D-exchanged and deuterated human carbonic anhydrase IX.
Acta Crystallogr D Struct Biol, 75, 2019
6RQU
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BU of 6rqu by Molmil
X-ray crystal structure of H/D exchanged (H/D) small monoclinic unit cell CA IX SV.
分子名称: ACETATE ION, Carbonic anhydrase 9, ZINC ION
著者Fisher, Z, Koruza, K.
登録日2019-05-16
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.393 Å)
主引用文献Structural comparison of protiated, H/D-exchanged and deuterated human carbonic anhydrase IX.
Acta Crystallogr D Struct Biol, 75, 2019
6RQQ
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BU of 6rqq by Molmil
X-ray crystal structure of protiated (H) large monoclinic unit cell CA IX SV.
分子名称: Carbonic anhydrase 9, FORMIC ACID, ZINC ION
著者Fisher, Z, Koruza, K.
登録日2019-05-16
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.276 Å)
主引用文献Structural comparison of protiated, H/D-exchanged and deuterated human carbonic anhydrase IX.
Acta Crystallogr D Struct Biol, 75, 2019
6FJJ
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BU of 6fjj by Molmil
Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (saccharin).
分子名称: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION
著者Fisher, S.Z.
登録日2018-01-22
公開日2019-02-06
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION
主引用文献Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative.
J. Struct. Biol., 205, 2019
6FJI
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BU of 6fji by Molmil
Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (apo).
分子名称: Carbonic anhydrase 2, ZINC ION
著者Fisher, S.Z.
登録日2018-01-22
公開日2019-02-06
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION
主引用文献Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative.
J. Struct. Biol., 205, 2019
6GCY
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BU of 6gcy by Molmil
Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (saccharin-sugar conjugate complex)
分子名称: Carbonic anhydrase 2, ZINC ION, [1-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]methyl alpha-L-idopyranoside
著者Fisher, S.Z, Koruza, K.
登録日2018-04-20
公開日2019-02-06
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (1.3 Å), X-RAY DIFFRACTION
主引用文献Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative.
J. Struct. Biol., 205, 2019
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