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7A0E
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BU of 7a0e by Molmil
The Crystal Structure of Bovine Thrombin in complex with Hirudin (C6U/C14U) at 1.9 Angstroms Resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-1, Prothrombin, ...
Authors:Hidmi, T, Mousa, R, Pomyalov, S, Lansky, S, Khouri, L, Metanis, N, Shoham, G.
Deposit date:2020-08-07
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Diselenide crosslinks for enhanced and simplified oxidative protein folding
Commun Chem, 4, 2021
7A0D
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BU of 7a0d by Molmil
The Crystal Structure of Bovine Thrombin in complex with Hirudin (C16U/C28U) at 1.6 Angstroms Resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-1, Prothrombin, ...
Authors:Hidmi, T, Mousa, R, Pomyalov, S, Lansky, S, Khouri, L, Metanis, N, Shoham, G.
Deposit date:2020-08-07
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Diselenide crosslinks for enhanced and simplified oxidative protein folding
Commun Chem, 4, 2021
7A0F
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BU of 7a0f by Molmil
The Crystal Structure of Bovine Thrombin in complex with Hirudin (C22U/C39U) at 2.7 Angstroms Resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-1, Prothrombin, ...
Authors:Hidmi, T, Mousa, R, Pomyalov, S, Lansky, S, Khouri, L, Metanis, N, Shoham, G.
Deposit date:2020-08-07
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Diselenide crosslinks for enhanced and simplified oxidative protein folding
Commun Chem, 4, 2021
7KU0
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BU of 7ku0 by Molmil
Data clustering and dynamics of chymotrypsinogen cluster 138 (yellow) structure
Descriptor: Chymotrypsinogen A, SULFATE ION
Authors:Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J.
Deposit date:2020-11-24
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
7KTY
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BU of 7kty by Molmil
Data clustering and dynamics of chymotrypsinogen average structure
Descriptor: Chymotrypsinogen A, SULFATE ION
Authors:Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Shi, W, Sweet, R.M, Soares, A.S, Bernstein, H.J.
Deposit date:2020-11-24
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
7KU1
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BU of 7ku1 by Molmil
Data clustering and dynamics of chymotrypsinogen cluster 139 (green) structure
Descriptor: Chymotrypsinogen A, SULFATE ION
Authors:Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J.
Deposit date:2020-11-24
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
7KU2
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BU of 7ku2 by Molmil
Data clustering and dynamics of chymotrypsinogen clulster 140 (structure)
Descriptor: Chymotrypsinogen A, SULFATE ION
Authors:Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J.
Deposit date:2020-11-24
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.185 Å)
Cite:A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
7KU3
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BU of 7ku3 by Molmil
Data clustering and dynamics of chymotrypsinogen cluster 141 (cyan) structure
Descriptor: Chymotrypsinogen A, SULFATE ION
Authors:Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J.
Deposit date:2020-11-24
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
7KTZ
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BU of 7ktz by Molmil
Data clustering and dynamics of chymotrypsinogen cluster 131 (purple) structure
Descriptor: Chymotrypsinogen A, SULFATE ION
Authors:Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J.
Deposit date:2020-11-24
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
6Y02
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BU of 6y02 by Molmil
Thrombin in complex with 13k
Descriptor: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-bromanylfuran-2-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Sandner, A, Heine, A, Klebe, G, Abazi, N.
Deposit date:2020-02-06
Release date:2021-02-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Thrombin in complex with 13k
To be published
6XYG
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BU of 6xyg by Molmil
Femtosecond structure of bovine trypsin at room temperature
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Jensen, M.
Deposit date:2020-01-30
Release date:2021-02-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.50000238 Å)
Cite:High-resolution macromolecular crystallography at the FemtoMAX beamline with time-over-threshold photon detection
J.Synchrotron Radiat., 2021
6VMJ
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BU of 6vmj by Molmil
Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12
Descriptor: CITRIC ACID, Complement factor D, Fab20D12 Light Chain, ...
Authors:Wu, P, Harris, S.F, Eigenbrot, C.
Deposit date:2020-01-28
Release date:2021-02-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12
To Be Published
6VMK
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BU of 6vmk by Molmil
Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12
Descriptor: Complement factor D, Fab Y49R heavy chain, Fab Y49R light chain, ...
Authors:Wu, P, Harris, S.F, Eigenbrot, C.
Deposit date:2020-01-28
Release date:2021-02-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12
To Be Published
6XYK
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BU of 6xyk by Molmil
Crystal structure of bovine trypsin at room temperature.
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Jensen, M.
Deposit date:2020-01-30
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.50000036 Å)
Cite:Femtosecond structure of bovine trypsin at room temperature
To Be Published
6Z8W
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BU of 6z8w by Molmil
X-ray structure of the complex between human alpha thrombin and a thrombin binding aptamer variant (TBA-3G), which contains 1-beta-D-glucopyranosyl residue in the side chain of Thy3 at N3.
Descriptor: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, POTASSIUM ION, Prothrombin, ...
Authors:Troisi, R, Timofeev, E.N, Sica, F.
Deposit date:2020-06-02
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Expanding the recognition interface of the thrombin-binding aptamer HD1 through modification of residues T3 and T12.
Mol Ther Nucleic Acids, 23, 2021
6Z8X
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BU of 6z8x by Molmil
X-ray structure of the complex between human alpha thrombin and a thrombin binding aptamer variant (TBA-3Leu), which contains leucyl amide in the side chain of Thy3 at N3.
Descriptor: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, POTASSIUM ION, Prothrombin, ...
Authors:Troisi, R, Timofeev, E.N, Sica, F.
Deposit date:2020-06-02
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Expanding the recognition interface of the thrombin-binding aptamer HD1 through modification of residues T3 and T12.
Mol Ther Nucleic Acids, 23, 2021
6Z8V
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BU of 6z8v by Molmil
X-ray structure of the complex between human alpha thrombin and a thrombin binding aptamer variant (TBA-3L), which contains 1-beta-D-lactopyranosyl residue in the side chain of Thy3 at N3.
Descriptor: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, POTASSIUM ION, Prothrombin, ...
Authors:Troisi, R, Timofeev, E.N, Sica, F.
Deposit date:2020-06-02
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Expanding the recognition interface of the thrombin-binding aptamer HD1 through modification of residues T3 and T12.
Mol Ther Nucleic Acids, 23, 2021
7AYS
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BU of 7ays by Molmil
Structure of bovine trypsin determined from single femtosecond snapshots per orientation at room temperature
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Jensen, M.
Deposit date:2020-11-13
Release date:2021-01-20
Last modified:2021-08-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:High-resolution macromolecular crystallography at the FemtoMAX beamline with time-over-threshold photon detection.
J.Synchrotron Radiat., 28, 2021
6ZFK
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BU of 6zfk by Molmil
Trypsin inhibitor in complex with bovine trypsin
Descriptor: 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide, CALCIUM ION, Cationic trypsin, ...
Authors:Badran, M.J, Heine, A, Klebe, G.
Deposit date:2020-06-17
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Trypsin inhibitor in complex with bovine trypsin
To Be Published
6ZFJ
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BU of 6zfj by Molmil
Trypsin inhibitor in complex with bovine trypsin
Descriptor: 1H-isoindol-3-amine, CALCIUM ION, Cationic trypsin, ...
Authors:Badran, M.J, Heine, A, Klebe, G.
Deposit date:2020-06-17
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1 Å)
Cite:Trypsin inhibitor in complex with bovine trypsin
To Be Published
6VVU
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BU of 6vvu by Molmil
Anti-Tryptase fab E104.v1 bound to tryptase
Descriptor: CALCIUM ION, Fab E104.v1 heavy chain, Fab E104.v1 light chain, ...
Authors:Ultsch, M, Koerber, J.T.
Deposit date:2020-02-18
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Bivalent antibody pliers inhibit beta-tryptase by an allosteric mechanism dependent on the IgG hinge.
Nat Commun, 11, 2020
7JTN
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BU of 7jtn by Molmil
Human Complement Factor B Inhibited by a Slow Off-Rate Modified Aptamer of 29 Bases
Descriptor: Complement factor B, DNA (30-MER)
Authors:Xu, X, Geisbrecht, B.V.
Deposit date:2020-08-18
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Inhibition of the Complement Alternative Pathway by Chemically Modified DNA Aptamers That Bind with Picomolar Affinity to Factor B.
J Immunol., 206, 2021
7JTQ
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BU of 7jtq by Molmil
Human Complement Factor B Inhibited by a Slow Off-Rate Modified Aptamer of 31 Bases
Descriptor: Complement factor B, DNA (32-MER)
Authors:Xu, X, Geisbrecht, B.V.
Deposit date:2020-08-18
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Inhibition of the Complement Alternative Pathway by Chemically Modified DNA Aptamers That Bind with Picomolar Affinity to Factor B.
J Immunol., 206, 2021
6YIX
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BU of 6yix by Molmil
Trypsin inhibitor in complex with bovine trypsin
Descriptor: Cationic trypsin, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Badran, M.J, Heine, A, Klebe, G.
Deposit date:2020-04-01
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Trypsin inhibitor in complex with bovine trypsin
To Be Published
6YIW
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BU of 6yiw by Molmil
Trypsin inhibitor in complex with bovine trypsin
Descriptor: 1H-isoindol-3-amine, CALCIUM ION, Cationic trypsin, ...
Authors:Badran, M.J, Heine, A, Klebe, G.
Deposit date:2020-04-01
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Trypsin inhibitor in complex with bovine trypsin
To Be Published

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