5UX0
 
 | |
7WPQ
 | | Cryo-EM structure of VWF D'D3 dimer complexed with D1D2 at 3.27 angstron resolution (2 units) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ... | | Authors: | Zeng, J.W, Shu, Z.M, Zhou, A.W. | | Deposit date: | 2022-01-24 | | Release date: | 2022-05-25 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.267 Å) | | Cite: | Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
|
|
7WPP
 | | Cryo-EM structure of VWF D'D3 dimer complexed with D1D2 at 2.85 angstron resolution (1 unit) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ... | | Authors: | Zeng, J.W, Shu, Z.M, Zhou, A.W. | | Deposit date: | 2022-01-24 | | Release date: | 2022-05-25 | | Last modified: | 2022-06-15 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
|
|
7WQT
 | | Cryo-EM structure of VWF D'D3 dimer complexed with D1D2 at 4.3 angstron resolution (VWF tube) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ... | | Authors: | Zeng, J.W, Shu, Z.M, Zhou, A.W. | | Deposit date: | 2022-01-26 | | Release date: | 2022-05-25 | | Last modified: | 2022-06-15 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
|
|
7WPS
 | | Cryo-EM structure of VWF D'D3 dimer complexed with D1D2 at 4.3 angstron resolution (7 units) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ... | | Authors: | Zeng, J.W, Shu, Z.M, Zhou, A.W. | | Deposit date: | 2022-01-24 | | Release date: | 2022-05-25 | | Last modified: | 2022-06-15 | | Method: | ELECTRON MICROSCOPY (4.32 Å) | | Cite: | Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
|
|
7WPR
 | | VWF D'D3 dimer complexed with D1D2 at 4.39 angstron resolution(VWF tube) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, von Willebrand antigen 2, ... | | Authors: | Zeng, J.W, Shu, Z.M, Zhou, A.W. | | Deposit date: | 2022-01-24 | | Release date: | 2022-05-25 | | Last modified: | 2022-06-15 | | Method: | ELECTRON MICROSCOPY (4.39 Å) | | Cite: | Structural basis of von Willebrand factor multimerization and tubular storage.
Blood, 139, 2022
|
|
7VBD
 | | Crystal structure of SARS-Cov-2 nucleocapsid N-terminal domain (NTD) protein,pH8.0 | | Descriptor: | Nucleoprotein | | Authors: | Zeng, P, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J. | | Deposit date: | 2021-08-31 | | Release date: | 2022-08-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystal structure of SARS-Cov-2 nucleocapsid N-terminal domain (NTD) protein,pH8.0
To Be Published
|
|
8HQF
 | |
7W7R
 | | High resolution structure of a fish aquaporin reveals a novel extracellular fold. | | Descriptor: | Aquaporin 1 | | Authors: | Zeng, J, Schmitz, F, Isaksson, S, Glas, J, Arbab, O, Andersson, M, Sundell, K, Eriksson, L, Swaminathan, K, Tornroth-Horsefield, S, Hedfalk, K. | | Deposit date: | 2021-12-06 | | Release date: | 2022-10-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.46 Å) | | Cite: | High-resolution structure of a fish aquaporin reveals a novel extracellular fold.
Life Sci Alliance, 5, 2022
|
|
7W7S
 | | High resolution structure of a fish aquaporin reveals a novel extracellular fold. | | Descriptor: | Aquaporin 1 | | Authors: | Zeng, J, Schmitz, F, Isaksson, S, Glas, J, Arbab, O, Andersson, M, Sundell, K, Eriksson, L, Swaminathan, K, Tornroth-Horsefield, S, Hedfalk, K. | | Deposit date: | 2021-12-06 | | Release date: | 2022-10-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-resolution structure of a fish aquaporin reveals a novel extracellular fold.
Life Sci Alliance, 5, 2022
|
|
7U9I
 | | Co-crystal structure of human CARM1 in complex with MT556 inhibitor | | Descriptor: | 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION | | Authors: | Zeng, H, Perveen, S, Dong, A, Hutchinson, A, Seitova, A, Gibson, E, Hajian, T, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-03-10 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Co-crystal structure of human CARM1 in complex with MT556 inhibitor
To Be Published
|
|
8HVK
 | | Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF07321332 | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Zeng, P, Zhang, J, Li, J. | | Deposit date: | 2022-12-27 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Crystal structure of SARS-Cov-2 main protease
G15S mutant in complex with PF07321332
To Be Published
|
|
8HZR
 | | Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF07321332 | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Zeng, X.Y, Zhang, J, Li, J. | | Deposit date: | 2023-01-09 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Crystal structure of SARS-Cov-2 main protease
S46F mutant in complex with PF07321332
To Be Published
|
|
3CL4
 | | Crystal structure of bovine coronavirus hemagglutinin-esterase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin-esterase, ... | | Authors: | Zeng, Q.H, Langereis, M.A, van Vliet, A.L.W, Huizinga, E.G, de Groot, R.J. | | Deposit date: | 2008-03-18 | | Release date: | 2008-06-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of coronavirus hemagglutinin-esterase offers insight into corona and influenza virus evolution.
Proc.Natl.Acad.Sci.Usa, 105, 2008
|
|
3CL5
 | | Structure of coronavirus hemagglutinin-esterase in complex with 4,9-O-diacetyl sialic acid | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, ... | | Authors: | Zeng, Q.H, Langereis, M.A, van Vliet, A.L.W, Huizinga, E.G, de Groot, R.J. | | Deposit date: | 2008-03-18 | | Release date: | 2008-06-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of coronavirus hemagglutinin-esterase offers insight into corona and influenza virus evolution.
Proc.Natl.Acad.Sci.Usa, 105, 2008
|
|
3G6Z
 | | Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors | | Descriptor: | (1R,5S)-N-cyclopropyl-7-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}-N-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | Authors: | Bezencon, O, Bur, D, Prade, L, Weller, T, Boss, C, Fischli, W. | | Deposit date: | 2009-02-09 | | Release date: | 2009-06-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors
J.Med.Chem., 52, 2009
|
|
3G72
 | | Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors | | Descriptor: | (1S,5R)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Bezencon, O, Bur, D, Prade, L, Weller, T, Boss, C, Fischli, W. | | Deposit date: | 2009-02-09 | | Release date: | 2009-06-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors
J.Med.Chem., 52, 2009
|
|
3G70
 | | Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors | | Descriptor: | (1R,5S)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Bezencon, O, Bur, D, Prade, L, Weller, T, Boss, C, Fischli, W. | | Deposit date: | 2009-02-09 | | Release date: | 2009-06-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors
J.Med.Chem., 52, 2009
|
|
5M1Y
 | |
4V4E
 | | Crystal Structure of Pyrogallol-Phloroglucinol Transhydroxylase from Pelobacter acidigallici complexed with inhibitor 1,2,4,5-tetrahydroxy-benzene | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, BENZENE-1,2,4,5-TETROL, CALCIUM ION, ... | | Authors: | Messerschmidt, A, Niessen, H, Abt, D, Einsle, O, Schink, B, Kroneck, P.M.H. | | Deposit date: | 2004-06-02 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of pyrogallol-phloroglucinol transhydroxylase, an Mo enzyme capable of intermolecular hydroxyl transfer between phenols
PROC.NATL.ACAD.SCI.USA, 101, 2004
|
|
4LXB
 | | Crystal Structure Analysis of thrombin in complex with compound D58 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((S)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide, Hirudin variant-1, ... | | Authors: | Stehlin-Gaon, C, Bocskei, Z. | | Deposit date: | 2013-07-29 | | Release date: | 2014-06-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | 5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]amide (SAR107375), a selective and potent orally active dual thrombin and factor Xa inhibitor.
J.Med.Chem., 56, 2013
|
|
4W55
 | | T4 Lysozyme L99A with n-Propylbenzene Bound | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, propylbenzene | | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | | Deposit date: | 2014-08-16 | | Release date: | 2015-04-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6401 Å) | | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
4W58
 | | T4 Lysozyme L99A with n-Pentylbenzene Bound | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, pentylbenzene | | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | | Deposit date: | 2014-08-16 | | Release date: | 2015-04-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
5LLH
 | | Crystal structure of human carbonic anhydrase isozyme II with 4-(1,3-Benzothiazol-2-ylthio)-2,3,5,6-tetrafluorobenzenesulfonamide | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(1,3-benzothiazol-2-ylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide, BICINE, ... | | Authors: | Manakova, E, Smirnov, A, Grazulis, S. | | Deposit date: | 2016-07-27 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding.
PeerJ, 6, 2018
|
|
3CA2
 | | CRYSTALLOGRAPHIC STUDIES OF INHIBITOR BINDING SITES IN HUMAN CARBONIC ANHYDRASE II. A PENTACOORDINATED BINDING OF THE SCN-ION TO THE ZINC AT HIGH P*H | | Descriptor: | 3-MERCURI-4-AMINOBENZENESULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | | Authors: | Eriksson, A.E, Jones, T.A, Liljas, A. | | Deposit date: | 1989-10-02 | | Release date: | 1990-01-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic studies of inhibitor binding sites in human carbonic anhydrase II: a pentacoordinated binding of the SCN- ion to the zinc at high pH.
Proteins, 4, 1988
|
|
