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3RMN
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BU of 3rmn by Molmil
Human Thrombin in complex with MI341
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2011-04-21
Release date:2012-04-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect
J.Med.Chem., 55, 2012
4E7R
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BU of 4e7r by Molmil
Thrombin in complex with 3-amidinophenylalanine inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide, GLYCEROL, ...
Authors:Ruehmann, E, Heine, A, Klebe, G.
Deposit date:2012-03-19
Release date:2012-06-20
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:New 3-amidinophenylalanine-derived inhibitors of matriptase
MEDCHEMCOMM, 3, 2012
5ZOB
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BU of 5zob by Molmil
Crystal structure of Zika NS3 protease with 4-guanidinomethyl-phenylacetyl-Arg-Arg-Arg-4-amidinobenzylamide
Descriptor: 4-guanidinomethyl-phenylacetyl-Arg-Arg-Arg-4-amidinobenzylamide, NS3 protease, Serine protease subunit NS2B
Authors:Phoo, W.W, Wirawan, M.
Deposit date:2018-04-12
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Zika virus NS2B-NS3 protease in complex with peptidomimetic inhibitors.
Antiviral Res., 160, 2018
5ZMQ
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BU of 5zmq by Molmil
Crystal structure of Zika NS3 protease with phenylacetyl-Lys-Lys-Arg-COOH inhibitor
Descriptor: Serine protease NS3, Serine protease subunit NS2B, peptide PAC-DLY-DLY-DAR
Authors:Phoo, W.W, Wirawan, M.
Deposit date:2018-04-05
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.987 Å)
Cite:Structures of Zika virus NS2B-NS3 protease in complex with peptidomimetic inhibitors.
Antiviral Res., 160, 2018
5ZMS
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BU of 5zms by Molmil
Crystal structure of Zika NS3 protease in complex with 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H
Descriptor: 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H, NS3 protease, Serine protease subunit NS2B
Authors:Phoo, W.W, Wirawan, M.
Deposit date:2018-04-05
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of Zika virus NS2B-NS3 protease in complex with peptidomimetic inhibitors.
Antiviral Res., 160, 2018
2LQ8
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BU of 2lq8 by Molmil
Domain interaction in Thermotoga maritima NusG
Descriptor: Transcription antitermination protein nusG
Authors:Droegemueller, J, Stegmann, C, Burmann, B, Roesch, P, Wahl, M.C, Schweimer, K.
Deposit date:2012-02-27
Release date:2013-01-23
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:An Autoinhibited State in the Structure of Thermotoga maritima NusG.
Structure, 21, 2013
1HBT
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BU of 1hbt by Molmil
Human alpha-thrombin complexed with a peptidyl pyridinium methyl ketone containing bivalent inhibitor
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), P596 Inhibitor peptide
Authors:Rehse, P.H, Cygler, M.
Deposit date:1995-04-06
Release date:1995-07-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a peptidyl pyridinium methyl ketone inhibitor with thrombin.
Biochemistry, 34, 1995
2QXH
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BU of 2qxh by Molmil
Crystal Structure of Human Kallikrein 7 in Complex with Suc-Ala-Ala-Pro-Phe-chloromethylketone
Descriptor: Kallikrein-7, N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide
Authors:Debela, M, Hess, P, Magdolen, V, Schechter, N.M, Bode, W, Goettig, P.
Deposit date:2007-08-11
Release date:2008-01-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Chymotryptic specificity determinants in the 1.0 A structure of the zinc-inhibited human tissue kallikrein 7.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2QXJ
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BU of 2qxj by Molmil
Crystal Structure of Human Kallikrein 7 in Complex with Suc-Ala-Ala-Pro-Phe-chloromethylketone and Copper
Descriptor: COPPER (II) ION, Kallikrein-7, N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide
Authors:Debela, M, Hess, P, Magdolen, V, Schechter, N.M, Bode, W, Goettig, P.
Deposit date:2007-08-11
Release date:2008-01-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Chymotryptic specificity determinants in the 1.0 A structure of the zinc-inhibited human tissue kallikrein 7.
Proc.Natl.Acad.Sci.Usa, 104, 2007
7QPJ
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BU of 7qpj by Molmil
Crystal structure of engineered TCR (756) complexed to HLA-A*02:01 presenting MAGE-A10 9-mer peptide
Descriptor: Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ...
Authors:Simister, P.C, Border, E.C, Vieira, J.F, Pumphrey, N.J.
Deposit date:2022-01-04
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural insights into engineering a T-cell receptor targeting MAGE-A10 with higher affinity and specificity for cancer immunotherapy.
J Immunother Cancer, 10, 2022
2XHC
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BU of 2xhc by Molmil
Crystal Structure of Thermotoga maritima N-utilization Substance G (NusG)
Descriptor: TRANSCRIPTION ANTITERMINATION PROTEIN NUSG
Authors:Stegmann, C.M, Wahl, M.C.
Deposit date:2010-06-14
Release date:2011-06-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:An Autoinhibited State in the Structure of Thermotoga Maritima Nusg.
Structure, 21, 2013
2QXI
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BU of 2qxi by Molmil
High resolution structure of Human Kallikrein 7 in Complex with Suc-Ala-Ala-Pro-Phe-chloromethylketone
Descriptor: Kallikrein-7, N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide
Authors:Debela, M, Hess, P, Magdolen, V, Schechter, N.M, Bode, W, Goettig, P.
Deposit date:2007-08-11
Release date:2008-01-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1 Å)
Cite:Chymotryptic specificity determinants in the 1.0 A structure of the zinc-inhibited human tissue kallikrein 7.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2XHA
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BU of 2xha by Molmil
Crystal Structure of Domain 2 of Thermotoga maritima N-utilization Substance G (NusG)
Descriptor: ACETATE ION, TRANSCRIPTION ANTITERMINATION PROTEIN NUSG
Authors:Stegmann, C.M, Mandal, A, Wahl, M.C.
Deposit date:2010-06-11
Release date:2011-06-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.906 Å)
Cite:An Autoinhibited State in the Structure of Thermotoga Maritima Nusg.
Structure, 21, 2013
3U9A
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BU of 3u9a by Molmil
Human Thrombin In Complex With MI330
Descriptor: (2S)-N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2S)-2-[(3-chloranyl-4-methoxy-phenyl)sulfonylamino]-4-[(4-cyanophenyl)methylamino]-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2011-10-18
Release date:2012-10-24
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Thrombin Inhibition
To be Published
3T5F
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BU of 3t5f by Molmil
Human Thrombin In Complex With MI340
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2011-07-27
Release date:2012-08-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect
J.Med.Chem., 55, 2012
3UWJ
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BU of 3uwj by Molmil
Human Thrombin In Complex With MI353
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, N-(benzylsulfonyl)-D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2011-12-02
Release date:2012-12-12
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect
J.Med.Chem., 55, 2012
3U98
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BU of 3u98 by Molmil
Human Thrombin In Complex With MI001
Descriptor: (2S)-1-[(2R)-2-(benzylsulfonylamino)-5-guanidino-pentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2011-10-18
Release date:2012-10-24
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Thrombin Inhibition
To be Published
8B4V
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BU of 8b4v by Molmil
X-ray structure of furin (PCSK3) in complex with benzamidine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, CALCIUM ION, ...
Authors:Dahms, S.O, Brandstetter, H.
Deposit date:2022-09-21
Release date:2023-10-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors.
Chemmedchem, 19, 2024
8B4W
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BU of 8b4w by Molmil
X-ray structure of furin (PCSK3) in complex with 1H-isoindol-3-amine
Descriptor: 1H-isoindol-3-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Dahms, S.O, Brandstetter, H.
Deposit date:2022-09-21
Release date:2023-10-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors.
Chemmedchem, 19, 2024
8B4X
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BU of 8b4x by Molmil
X-ray structure of furin (PCSK3) in complex with Guanidinomethyl-Phac-R-Tle-K-6-(aminomethyl)-3-amino-isoindol
Descriptor: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Dahms, S.O, Brandstetter, H.
Deposit date:2022-09-21
Release date:2023-10-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors.
Chemmedchem, 19, 2024

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