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6U50
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BU of 6u50 by Molmil
Anti-Sudan ebolavirus Nucleoprotein Single Domain Antibody Sudan B (SB)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Anti-Sudan ebolavirus Nucleoprotein Single Domain Antibody Sudan B (SB)
Authors:Taylor, A.B, Sherwood, L.J, Hart, P.J, Hayhurst, A.
Deposit date:2019-08-26
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Paratope Duality and Gullying are Among the Atypical Recognition Mechanisms Used by a Trio of Nanobodies to Differentiate Ebolavirus Nucleoproteins.
J.Mol.Biol., 431, 2019
6U53
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BU of 6u53 by Molmil
Anti-Zaire ebolavirus Nucleoprotein Single Domain Antibody Zaire C (ZC)
Descriptor: Anti-Zaire ebolavirus Nucleoprotein Single Domain Antibody Zaire C (ZC)
Authors:Taylor, A.B, Sherwood, L.J, Hart, P.J, Hayhurst, A.
Deposit date:2019-08-26
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Paratope Duality and Gullying are Among the Atypical Recognition Mechanisms Used by a Trio of Nanobodies to Differentiate Ebolavirus Nucleoproteins.
J.Mol.Biol., 431, 2019
6U6X
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BU of 6u6x by Molmil
Human SAMHD1 bound to deoxyribo(C*G*C*C*T)-oligonucleotide
Descriptor: DNA SC-GS-SC-SC-DT, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ZINC ION
Authors:Taylor, A.B, Bhattacharya, A, Wang, Z, Ivanov, D.N.
Deposit date:2019-08-30
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Nucleic acid binding by SAMHD1 contributes to the antiretroviral activity and is enhanced by the GpsN modification.
Nat Commun, 12, 2021
6UGR
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BU of 6ugr by Molmil
Human Carbonic Anhydrase 2 complexed with SB4-208
Descriptor: 7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION
Authors:Murray, A.B, Lomelino, C.L, McKenna, R.
Deposit date:2019-09-26
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.307 Å)
Cite:"A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
6U4Q
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BU of 6u4q by Molmil
Carbonic anhydrase 2 in complex with SB4197
Descriptor: 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION
Authors:Murray, A.B, Lomelino, C.L, McKenna, R.
Deposit date:2019-08-26
Release date:2020-01-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.306 Å)
Cite:"A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
6U51
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BU of 6u51 by Molmil
Anti-Sudan ebolavirus Nucleoprotein Single Domain Antibody Sudan B (SB) Complexed with Sudan ebolavirus Nucleoprotein C-terminal Domain 610-738
Descriptor: Anti-Sudan ebolavirus Nucleoprotein Single Domain Antibody Sudan B (SB), Nucleoprotein
Authors:Taylor, A.B, Sherwood, L.J, Hart, P.J, Hayhurst, A.
Deposit date:2019-08-26
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Paratope Duality and Gullying are Among the Atypical Recognition Mechanisms Used by a Trio of Nanobodies to Differentiate Ebolavirus Nucleoproteins.
J.Mol.Biol., 431, 2019
6U6Y
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BU of 6u6y by Molmil
Human SAMHD1 bound to ribo(CGCCU)-oligonucleotide
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, RNA CGCCU, ...
Authors:Taylor, A.B, Bhattacharya, A, Wang, Z, Ivanov, D.N.
Deposit date:2019-08-30
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Nucleic acid binding by SAMHD1 contributes to the antiretroviral activity and is enhanced by the GpsN modification.
Nat Commun, 12, 2021
6U59
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BU of 6u59 by Molmil
HIV-1 B41 SOSIP.664 in complex with rabbit antibody 13B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SOSIP.664 gp120,SOSIP.664 gp120, ...
Authors:Yang, Y.R, Ward, A.B.
Deposit date:2019-08-27
Release date:2020-01-29
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:Autologous Antibody Responses to an HIV Envelope Glycan Hole Are Not Easily Broadened in Rabbits.
J.Virol., 94, 2020
6UGZ
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BU of 6ugz by Molmil
Human Carbonic Anhydrase IX-mimic complexed with SB4-208
Descriptor: 7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase IX-mimic, ZINC ION
Authors:Murray, A.B, Lomelino, C.L, McKenna, R.
Deposit date:2019-09-26
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.306 Å)
Cite:"A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
6U52
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BU of 6u52 by Molmil
Anti-Sudan ebolavirus Nucleoprotein Single Domain Antibody Sudan B (SB) Complexed with Sudan ebolavirus Nucleoprotein C-terminal Domain 634-738
Descriptor: Anti-Sudan ebolavirus Nucleoprotein Single Domain Antibody Sudan B (SB), CHLORIDE ION, Nucleoprotein
Authors:Taylor, A.B, Sherwood, L.J, Hart, P.J, Hayhurst, A.
Deposit date:2019-08-26
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Paratope Duality and Gullying are Among the Atypical Recognition Mechanisms Used by a Trio of Nanobodies to Differentiate Ebolavirus Nucleoproteins.
J.Mol.Biol., 431, 2019
6U55
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BU of 6u55 by Molmil
Anti-Zaire ebolavirus Nucleoprotein Single Domain Antibody Zaire E (ZE) Complexed with Sudan ebolavirus Nucleoprotein C-terminal Domain 634-738
Descriptor: Anti-Zaire ebolavirus Nucleoprotein Single Domain Antibody Zaire E (ZE), Nucleoprotein
Authors:Taylor, A.B, Sherwood, L.J, Hart, P.J, Hayhurst, A.
Deposit date:2019-08-26
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Paratope Duality and Gullying are Among the Atypical Recognition Mechanisms Used by a Trio of Nanobodies to Differentiate Ebolavirus Nucleoproteins.
J.Mol.Biol., 431, 2019
4OQN
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BU of 4oqn by Molmil
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with EdU
Descriptor: 2'-deoxy-5-ethynyluridine, SULFATE ION, Thymidine kinase
Authors:Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N.W, Scapozza, L.
Deposit date:2014-02-10
Release date:2014-08-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with EdU
To be Published
4OQX
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BU of 4oqx by Molmil
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with Me-ARA-EdU
Descriptor: 1-(2-deoxy-2-methyl-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, Thymidine kinase
Authors:Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N, Scapozza, L.
Deposit date:2014-02-10
Release date:2014-08-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of HSV1-TK complexed with Me-ARA-EdU
To be Published
6UGN
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BU of 6ugn by Molmil
Human Carbonic Anhydrase 2 complexed with SB4-205
Descriptor: 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION
Authors:Murray, A.B, Supuran, C.T, McKenna, R.
Deposit date:2019-09-26
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.406 Å)
Cite:"A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
6UGO
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BU of 6ugo by Molmil
Human Carbonic Anhydrase IX-mimic complexed with SB4-205
Descriptor: 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, CITRIC ACID, Carbonic anhydrase IX-mimic, ...
Authors:Murray, A.B, McKenna, R, Lomelino, C.L.
Deposit date:2019-09-26
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.457 Å)
Cite:"A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
6UGP
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BU of 6ugp by Molmil
Human Carbonic Anhydrase 2 complexed with SB4-206
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ...
Authors:Murray, A.B, Lomelino, C.L, McKenna, R.
Deposit date:2019-09-26
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.306 Å)
Cite:"A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
4OTC
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BU of 4otc by Molmil
4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, TRIGONAL CRYSTAL FORM
Descriptor: 4-OXALOCROTONATE TAUTOMERASE, SULFATE ION
Authors:Taylor, A.B, Whitman, C.P, Hackert, M.L.
Deposit date:1998-10-15
Release date:2001-08-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Native and inhibitor complex structures of 4-oxalocrotonate tautomerase from Pseudomonas putida mt-2 (University of Texas at Austin-136 pages)
Thesis, 1998
4OQM
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BU of 4oqm by Molmil
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with F-ARA-EdU
Descriptor: 1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, Thymidine kinase
Authors:Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N, Scapozza, L.
Deposit date:2014-02-10
Release date:2014-08-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with F-ARA-EdU
To be Published
4OTA
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BU of 4ota by Molmil
4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, ORTHORHOMBIC CRYSTAL FORM
Descriptor: 4-OXALOCROTONATE TAUTOMERASE, SULFATE ION
Authors:Taylor, A.B, Whitman, C.P, Hackert, M.L.
Deposit date:1998-10-15
Release date:2001-08-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Native and inhibitor complex structures of 4-oxalocrotonate tautomerase from Pseudomonas putida mt-2 (University of Texas at Austin-136 pages)
Thesis, 1998
2YHG
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BU of 2yhg by Molmil
Ab initio phasing of a nucleoside hydrolase-related hypothetical protein from Saccharophagus degradans that is associated with carbohydrate metabolism
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Hehemann, J.H, Marsters, C, Boraston, A.B.
Deposit date:2011-04-30
Release date:2011-08-03
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Ab initio phasing of a nucleoside hydrolase-related hypothetical protein from Saccharophagus degradans that is associated with carbohydrate metabolism.
Proteins, 79, 2011
2YME
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BU of 2yme by Molmil
Crystal structure of a mutant binding protein (5HTBP-AChBP) in complex with granisetron
Descriptor: 1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, ...
Authors:Kesters, D, Thompson, A.J, Brams, M, Elk, R.v, Spurny, R, Geitmann, M, Villalgordo, J.M, Guskov, A, Danielson, U.H, Lummis, S.C.R, Smit, A.B, Ulens, C.
Deposit date:2012-10-09
Release date:2012-12-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis of Ligand Recognition in 5-Ht3 Receptors.
Embo Rep., 14, 2013
2YGM
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BU of 2ygm by Molmil
THE X-RAY CRYSTAL STRUCTURE OF TANDEM CBM51 MODULES OF SP3GH98, THE FAMILY 98 GLYCOSIDE HYDROLASE FROM STREPTOCOCCUS PNEUMONIAE SP3-BS71, IN COMPLEX WITH THE BLOOD GROUP B ANTIGEN
Descriptor: BLOOD GROUP A-AND B-CLEAVING ENDO-BETA-GALACTOSIDASE, CALCIUM ION, SODIUM ION, ...
Authors:Higgins, M.A, Ficko-Blean, E, Wright, C, Meloncelli, P.J, Lowary, T.L, Boraston, A.B.
Deposit date:2011-04-19
Release date:2011-06-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Overall Architecture and Receptor Binding of Pneumococcal Carbohydrate Antigen Hydrolyzing Enzymes.
J.Mol.Biol., 411, 2011
2YA2
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BU of 2ya2 by Molmil
Catalytic Module of the Multi-modular glycogen-degrading pneumococcal virulence factor SpuA in complex with an inhibitor.
Descriptor: 1-DEOXYNOJIRIMYCIN, CALCIUM ION, PUTATIVE ALKALINE AMYLOPULLULANASE, ...
Authors:Lammerts van Bueren, A, Ficko-Blean, E, Pluvinage, B, Hehemann, J.H, Higgins, M.A, Deng, L, Ogunniyi, A.D, Stroeher, U.H, Warry, N.E, Burke, R.D, Czjzek, M, Paton, J.C, Vocadlo, D.J, Boraston, A.B.
Deposit date:2011-02-17
Release date:2011-04-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:The Conformation and Function of a Multimodular Glycogen-Degrading Pneumococcal Virulence Factor.
Structure, 19, 2011
2Y7Y
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BU of 2y7y by Molmil
APLYSIA CALIFORNICA ACHBP IN APO STATE
Descriptor: SOLUBLE ACETYLCHOLINE RECEPTOR
Authors:Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, De Esch, I.J.
Deposit date:2011-02-02
Release date:2011-03-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X-Ray Analysis.
J.Med.Chem., 52, 2009
2YMD
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BU of 2ymd by Molmil
Crystal structure of a mutant binding protein (5HTBP-AChBP) in complex with serotonin (5-hydroxytryptamine)
Descriptor: GLYCEROL, PHOSPHATE ION, SEROTONIN, ...
Authors:Kesters, D, Thompson, A.J, Brams, M, Elk, R.v, Spurny, R, Geitmann, M, Villalgordo, J.M, Guskov, A, Danielson, U.H, Lummis, S.C.R, Smit, A.B, Ulens, C.
Deposit date:2012-10-09
Release date:2012-12-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural Basis of Ligand Recognition in 5-Ht(3) Receptors.
Embo Rep., 14, 2013

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數據於2024-07-17公開中

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