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2ZFS
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BU of 2zfs by Molmil
Exploring trypsin S3 pocket
Descriptor: CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ...
Authors:Brandt, T, Baum, B, Heine, A, Klebe, G.
Deposit date:2008-01-10
Release date:2009-01-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties
J.Mol.Biol., 405, 2011
2ZFR
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BU of 2zfr by Molmil
Exploring thrombin S3 pocket
Descriptor: (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide, GLYCEROL, Hirudin, ...
Authors:Brandt, T, Baum, B, Heine, A, Klebe, G.
Deposit date:2008-01-10
Release date:2009-01-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Exploring thrombin S3 pocket
To be Published
2ZHW
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BU of 2zhw by Molmil
Exploring thrombin S3 pocket
Descriptor: Hirudin variant-2, N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide, SODIUM ION, ...
Authors:Brandt, T, Baum, B, Heine, A, Klebe, G.
Deposit date:2008-02-08
Release date:2009-02-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Exploring thrombin S3 pocket
To be Published
2ZQ1
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BU of 2zq1 by Molmil
Exploring trypsin S3 pocket
Descriptor: (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ...
Authors:Brandt, T, Baum, B, Heine, A, Klebe, G.
Deposit date:2008-08-03
Release date:2009-08-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties
J.Mol.Biol., 405, 2011
2ZQ2
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BU of 2zq2 by Molmil
Exploring trypsin S3 pocket
Descriptor: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
Authors:Brandt, T, Baum, B, Heine, A, Klebe, G.
Deposit date:2008-08-03
Release date:2009-08-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties
J.Mol.Biol., 405, 2011
2ZHD
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BU of 2zhd by Molmil
Exploring trypsin S3 pocket
Descriptor: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
Authors:Brandt, T, Baum, B, Heine, A, Klebe, G.
Deposit date:2008-02-04
Release date:2009-02-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties
J.Mol.Biol., 405, 2011
2ZG0
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BU of 2zg0 by Molmil
Exploring thrombin S3 pocket
Descriptor: (S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide, Hirudin, SODIUM ION, ...
Authors:Brandt, T, Baum, B, Heine, A, Klebe, G.
Deposit date:2008-01-16
Release date:2009-01-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Exploring thrombin S3 pocket
To be Published
2ZFT
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BU of 2zft by Molmil
Exploring trypsin S3 pocket
Descriptor: (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ...
Authors:Brandt, T, Baum, B, Heine, A, Klebe, G.
Deposit date:2008-01-11
Release date:2009-01-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties
J.Mol.Biol., 405, 2011
2ZHF
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BU of 2zhf by Molmil
Exploring thrombin S3 pocket
Descriptor: (S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide, GLYCEROL, Hirudin variant-2, ...
Authors:Brandt, T, Baum, B, Heine, A, Klebe, G.
Deposit date:2008-02-04
Release date:2009-02-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Exploring thrombin S3 pocket
To be Published
6Z46
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BU of 6z46 by Molmil
Structure of the S. acidocaldarius 20S proteasome (Saci0613/Saci0662)
Descriptor: Proteasome subunit alpha, Proteasome subunit beta
Authors:Robinson, N.P, Bray, S.M.
Deposit date:2020-05-22
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.698 Å)
Cite:The proteasome controls ESCRT-III-mediated cell division in an archaeon.
Science, 369, 2020
7PB9
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BU of 7pb9 by Molmil
Crystal structure of tandem WH domains of Vps25 from Odinarchaeota
Descriptor: Tandem WH domains of Vps25
Authors:Salzer, R, Bellini, D, Papatziamou, D, Robinson, N.P, Lowe, J.
Deposit date:2021-08-01
Release date:2022-06-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Asgard archaea shed light on the evolutionary origins of the eukaryotic ubiquitin-ESCRT machinery.
Nat Commun, 13, 2022
3FGD
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BU of 3fgd by Molmil
Drugscore FP: Thermoylsin in complex with fragment.
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Englert, L, Heine, A, Klebe, G.
Deposit date:2008-12-05
Release date:2009-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Drugscore FP: Profiling Protein-Ligand Interactions using Fingerprint Simplicity paired with Knowledge-Based Potential Fields
To be Published
3LJO
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BU of 3ljo by Molmil
Bovine trypsin in complex with UB-THR 11
Descriptor: (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ...
Authors:Wegscheid-Gerlach, C, Heine, A, Klebe, G.
Deposit date:2010-01-26
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties.
J.Mol.Biol., 405, 2011
3LJJ
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BU of 3ljj by Molmil
Bovine trypsin in complex with UB-THR 10
Descriptor: (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ...
Authors:Wegscheid-Gerlach, C, Heine, A, Klebe, G.
Deposit date:2010-01-26
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties.
J.Mol.Biol., 405, 2011
9F8G
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BU of 9f8g by Molmil
Photostatin (photoswitchable azo-combretastatin) Z-PST27 bound to tubulin-DARPin D1 complex
Descriptor: 5-[(~{Z})-(3,5-diethyl-4-methoxy-phenyl)diazenyl]-2-methyl-phenol, CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
Authors:Wranik, M, Steinmetz, M.O.
Deposit date:2024-05-06
Release date:2024-09-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A photo-SAR study of photoswitchable azobenzene tubulin-inhibiting antimitotics identifying a general method for near-quantitative photocontrol.
Chem Sci, 15, 2024
6YSC
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BU of 6ysc by Molmil
GLYCOSYLATED KNOB-HOLE/DUMMY FC FRAGMENT
Descriptor: Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-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
Authors:Kuglstatter, A, Leibrock, L, Benz, J.
Deposit date:2020-04-22
Release date:2020-10-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Format chain exchange (FORCE) for high-throughput generation of bispecific antibodies in combinatorial binder-format matrices.
Nat Commun, 11, 2020
6YT7
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BU of 6yt7 by Molmil
GLYCOSYLATED KNOB/DUMMY-HOLE FC FRAGMENT
Descriptor: Ig gamma-1 chain C region, Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-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
Authors:Kuglstatter, A, Leibrock, L, Benz, J.
Deposit date:2020-04-24
Release date:2020-10-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Format chain exchange (FORCE) for high-throughput generation of bispecific antibodies in combinatorial binder-format matrices.
Nat Commun, 11, 2020
6YTB
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BU of 6ytb by Molmil
GLYCOSYLATED KNOB/DUMMY-HOLE/DUMMY FC FRAGMENT
Descriptor: Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-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
Authors:Kuglstatter, A, Leibrock, L, Benz, J.
Deposit date:2020-04-24
Release date:2020-10-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Format chain exchange (FORCE) for high-throughput generation of bispecific antibodies in combinatorial binder-format matrices.
Nat Commun, 11, 2020
1PFD
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BU of 1pfd by Molmil
THE SOLUTION STRUCTURE OF HIGH PLANT PARSLEY [2FE-2S] FERREDOXIN, NMR, 18 STRUCTURES
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN
Authors:Im, S.-C, Liu, G, Luchinat, C, Sykes, A.G, Bertini, I.
Deposit date:1998-05-05
Release date:1999-05-11
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The solution structure of parsley [2Fe-2S]ferredoxin.
Eur.J.Biochem., 258, 1998
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