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7PGC
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BU of 7pgc by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2191
Descriptor: Inhibitor MI-2191, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-08-13
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7PFZ
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BU of 7pfz by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2267
Descriptor: Inhibitor MI-2267, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-08-12
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
6Y3B
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BU of 6y3b by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2110
Descriptor: 1-[(8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, GLYCEROL, Genome polyprotein, ...
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2020-02-18
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses.
Chemmedchem, 15, 2020
5EG4
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BU of 5eg4 by Molmil
BOVINE TRYPSIN IN COMPLEX WITH CYCLIC INHIBITOR
Descriptor: (13S,16R)-N-(4-carbamimidoylbenzyl)-16-((N-cyclohexylsulfamoyl)amino)-3,9,15-trioxo-2,10,14-triaza-6(1,4)-piperazina-1, 11(1,4)-dibenzenacycloheptadecaphane-13-carboxamide, ACETATE ION, ...
Authors:Knoerlein, A, Wagner, S, Heine, A, Steinmetzer, T, Klebe, G.
Deposit date:2015-10-26
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Optimization of Cyclic Plasmin Inhibitors: From Benzamidines to Benzylamines.
J.Med.Chem., 59, 2016
1RMO
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BU of 1rmo by Molmil
Probing the Role of Tryptophans in Aequorea Victoria Green Fluorescent Proteins with an Expanded Genetic Code
Descriptor: wunen-nonfunctional GFP fusion protein
Authors:Budisa, N, Pal, P.P, Alefelder, S, Birle, P, Krywcun, T, Rubini, M, Wenger, W, Bae, J.H, Steiner, T.
Deposit date:2003-11-28
Release date:2004-06-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Probing the role of tryptophans in Aequorea victoria green fluorescent proteins with an expanded genetic code
Biol.Chem., 385, 2004
1RMM
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BU of 1rmm by Molmil
Probing the Role of Tryptophans in Aequorea Victoria Green Fluorescent Proteins with an Expanded Genetic Code
Descriptor: SIGF1-GFP fusion protein
Authors:Budisa, N, Pal, P.P, Alefelder, S, Birle, P, Krywcun, T, Rubini, M, Wenger, W, Bae, J.H, Steiner, T.
Deposit date:2003-11-28
Release date:2004-06-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing the role of tryptophans in Aequorea victoria green fluorescent proteins with an expanded genetic code
Biol.Chem., 385, 2004
1RM9
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BU of 1rm9 by Molmil
Probing the Role of Tryptophans in Aequorea Victoria Green Fluorescent Proteins with an Expanded Genetic Code
Descriptor: avermectin-sensitive chloride channel GluCl beta/cyan fluorescent protein fusion
Authors:Budisa, N, Pal, P.P, Alefelder, S, Birle, P, Krywcun, T, Rubini, M, Wenger, W, Bae, J.H, Steiner, T.
Deposit date:2003-11-27
Release date:2004-06-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Probing the role of tryptophans in Aequorea victoria green fluorescent proteins with an expanded genetic code
Biol.Chem., 385, 2004
1RMP
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BU of 1rmp by Molmil
Probing the Role of Tryptophans in Aequorea Victoria Green Fluorescent Proteins with an Expanded Genetic Code
Descriptor: SIGF1-GFP fusion protein
Authors:Budisa, N, Pal, P.P, Alefelder, S, Birle, P, Krywcun, T, Rubini, M, Wenger, W, Bae, J.H, Steiner, T.
Deposit date:2003-11-28
Release date:2004-06-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Probing the role of tryptophans in Aequorea victoria green fluorescent proteins with an expanded genetic code
Biol.Chem., 385, 2004
6T89
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BU of 6t89 by Molmil
Thrombin in complex with (S)-N-(tert-butyl)-4-(3-(3-carbamimidoylphenyl)-2-((2',4'-dimethoxy-[1,1'-biphenyl])-3-sulfonamido)propanoyl)piperazine-1-carboxamide (MI-498)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{N}-methyl-piperazine-1-carboxamide, DIMETHYL SULFOXIDE, ...
Authors:Ngaha, S.A, Sandner, A, Huber, S, Heine, A, Steinmetzer, T, Pilgram, O.
Deposit date:2019-10-24
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors
Eur.J.Med.Chem., 2022
6T9V
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BU of 6t9v by Molmil
Bovine Trypsin in complex with the synthetic inhibitor (S)-3-(3-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-2-((3'-fluoro-4'-(hydroxymethyl)-[1,1'-biphenyl])-3-sulfonamido)-3-oxopropyl)benzimidamide (MI-1904)
Descriptor: 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino ]propanoyl]piperidin-4-yl]urea, CALCIUM ION, Cationic Trypsin, ...
Authors:Merkl, S, Keils, A, Mueller, J.M, Pilgram, O, Steinmetzer, T.
Deposit date:2019-10-28
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.12642729 Å)
Cite:Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors
Eur.J.Med.Chem., 2022
6T8A
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BU of 6t8a by Molmil
Thrombin in complex with diphenyl ((4-carbamimidoylphenyl)((S)-1-((R)-3-cyclohexyl 2-((phenylmethyl)sulfonamido)propanoyl)pyrrolidine-2-carboxamido)methyl)phosphonate (MI-492)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Hirudin variant-2, ...
Authors:Ngaha, S.A, Sandner, A, Huber, S, Heine, A, Steinmetzer, T, Pilgram, O.
Deposit date:2019-10-24
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Thrombin in complex with diphenyl ((4-carbamimidoylphenyl)((S)-1-((R)-3-cyclohexyl-2-((phenylmethyl)sulfonamido)propanoyl)pyrrolidine-2-carboxamido)methyl)phosphonate (MI-492)
to be published
6T9T
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BU of 6t9t by Molmil
Matriptase in complex with the synthetic inhibitor (S)-3-(3-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-2-((3'-fluoro-4'-(hydroxymethyl)-[1,1'-biphenyl])-3-sulfonamido)-3-oxopropyl)benzimidamide (MI-1904)
Descriptor: 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino ]propanoyl]piperidin-4-yl]urea, CHLORIDE ION, Suppressor of tumorigenicity 14 protein
Authors:Mueller, J.M, Merkl, S, Keils, A, Pilgram, O, Steinmetzer, T.
Deposit date:2019-10-28
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors
Eur.J.Med.Chem., 2022
5JXJ
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BU of 5jxj by Molmil
Structure of the proprotein convertase furin complexed to meta-guanidinomethyl-Phac-RVR-Amba in presence of EDTA
Descriptor: 2UC-ARG-VAL-ARG-00S, CALCIUM ION, CHLORIDE ION, ...
Authors:Dahms, S.O, Arciniega, M, Steinmetzer, T, Huber, R, Than, M.E.
Deposit date:2016-05-13
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the unliganded form of the proprotein convertase furin suggests activation by a substrate-induced mechanism.
Proc.Natl.Acad.Sci.USA, 113, 2016
5JXI
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BU of 5jxi by Molmil
Structure of the unliganded form of the proprotein convertase furin in presence of EDTA.
Descriptor: CALCIUM ION, CHLORIDE ION, Furin, ...
Authors:Dahms, S.O, Arciniega, M, Steinmetzer, T, Huber, R, Than, M.E.
Deposit date:2016-05-13
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the unliganded form of the proprotein convertase furin suggests activation by a substrate-induced mechanism.
Proc.Natl.Acad.Sci.USA, 113, 2016
5JXG
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BU of 5jxg by Molmil
Structure of the unliganded form of the proprotein convertase furin.
Descriptor: CALCIUM ION, CHLORIDE ION, Furin, ...
Authors:Dahms, S.O, Arciniega, M, Steinmetzer, T, Huber, R, Than, M.E.
Deposit date:2016-05-13
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the unliganded form of the proprotein convertase furin suggests activation by a substrate-induced mechanism.
Proc.Natl.Acad.Sci.USA, 113, 2016
5JXH
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BU of 5jxh by Molmil
Structure the proprotein convertase furin in complex with meta-guanidinomethyl-Phac-RVR-Amba at 2.0 Angstrom resolution.
Descriptor: 2UC-ARG-VAL-ARG-00S, CALCIUM ION, CHLORIDE ION, ...
Authors:Dahms, S.O, Arciniega, M, Steinmetzer, T, Huber, R, Than, M.E.
Deposit date:2016-05-13
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the unliganded form of the proprotein convertase furin suggests activation by a substrate-induced mechanism.
Proc.Natl.Acad.Sci.USA, 113, 2016
4MTB
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BU of 4mtb by Molmil
Bovine trypsin in complex with small molecule inhibitor
Descriptor: (2R)-2-amino-N-{(2S)-1-[(4-carbamimidoylbenzyl)amino]-1-oxopropan-2-yl}-4-(4-hydroxyphenyl)butanamide, CALCIUM ION, Cationic trypsin, ...
Authors:Wagner, S, Heine, A, Steinmetzer, T.
Deposit date:2013-09-19
Release date:2014-12-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:X-ray structure of trypsin-inhibitor-complex
To be Published
7ZNO
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BU of 7zno by Molmil
Crystal Structure of Unlinked NS2B_NS3 Protease from Zika Virus in Complex with Boronate Inhibitor MI-2270
Descriptor: Serine protease NS3, Serine protease subunit NS2B, [(1R)-1-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[2-[3-(4-carbamimidamido-3-oxidanylidene-pentyl)phenyl]ethanoylamino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butyl]boronic acid
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2022-04-21
Release date:2022-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Boroleucine-Derived Covalent Inhibitors of the ZIKV Protease.
Chemmedchem, 18, 2023
1LVU
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BU of 1lvu by Molmil
Crystal structure of calf spleen purine nucleoside phosphorylase in a new space group with full trimer in the asymmetric unit
Descriptor: 2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINE, CALCIUM ION, Purine nucleoside phosphorylase
Authors:Bzowska, A, Koellner, G, Wielgus-Kutrowska, B, Stroh, A, Raszewski, G, Holy, A, Steiner, T, Frank, J.
Deposit date:2002-05-29
Release date:2003-09-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of calf spleen purine nucleoside phosphorylase with two full trimers in the asymmetric unit: important implications for the mechanism of catalysis
J.Mol.Biol., 342, 2004
7ZLD
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BU of 7zld by Molmil
Crystal Structure of Unlinked NS2B_NS3 Protease from Zika Virus in Complex with Inhibitor MI-2223
Descriptor: (2~{S})-2-[2-[3-(aminomethyl)phenyl]ethanoylamino]-6-azanyl-~{N}-[(2~{S})-6-azanyl-1-[[(5~{R})-6-azanyl-5-carbamimidamido-6-oxidanylidene-hexyl]amino]-1-oxidanylidene-hexan-2-yl]hexanamide, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Steinmetzer, T.
Deposit date:2022-04-14
Release date:2022-12-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Thermodynamic characterization of a macrocyclic Zika virus NS2B/NS3 protease inhibitor and its acyclic analogs.
Arch Pharm, 356, 2023
7ZLC
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BU of 7zlc by Molmil
Crystal Structure of Unlinked NS2B_NS3 Protease from Zika Virus in Complex with Inhibitor MI-2224
Descriptor: (2~{S})-6-azanyl-~{N}-[(2~{S})-6-azanyl-1-(5-carbamimidamidopentylamino)-1-oxidanylidene-hexan-2-yl]-2-(propanoylamino)hexanamide, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Steinmetzer, T.
Deposit date:2022-04-14
Release date:2022-12-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Thermodynamic characterization of a macrocyclic Zika virus NS2B/NS3 protease inhibitor and its acyclic analogs.
Arch Pharm, 356, 2023
7ZMI
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BU of 7zmi by Molmil
Crystal Structure of Unlinked NS2B_NS3 Protease from Zika Virus in Complex with Inhibitor MI-2113
Descriptor: (2~{R})-6-[[(2~{S})-6-azanyl-2-[[(2~{S})-6-azanyl-2-(2-phenylethanoylamino)hexanoyl]amino]hexanoyl]amino]-2-carbamimidamido-hexanoic acid, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Steinmetzer, T.
Deposit date:2022-04-19
Release date:2022-12-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Thermodynamic characterization of a macrocyclic Zika virus NS2B/NS3 protease inhibitor and its acyclic analogs.
Arch Pharm, 356, 2023
7ZYS
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BU of 7zys by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2227
Descriptor: 1-[(8~{R},15~{S},18~{S})-18-(4-azanylbutyl)-15-butyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(26),22,24-trien-8-yl]guanidine, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Steinmetzer, T.
Deposit date:2022-05-25
Release date:2022-07-13
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease.
Arch Pharm, 2024
7ZQ1
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BU of 7zq1 by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2205
Descriptor: 1-[(8R,15S,18S)-15-(4-azanylbutyl)-18-(1H-indol-3-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Steinmetzer, T.
Deposit date:2022-04-29
Release date:2023-03-22
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease.
Arch Pharm, 2024
7ZPD
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BU of 7zpd by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2293
Descriptor: 1-[(8R,15S,18S)-15-[[3-(aminomethyl)phenyl]methyl]-18-(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Steinmetzer, T.
Deposit date:2022-04-27
Release date:2023-03-22
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease.
Arch Pharm, 2024

221716

数据于2024-06-26公开中

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