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7OX7
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BU of 7ox7 by Molmil
Target-bound SpCas9 complex with TRAC chimeric RNA-DNA guide
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Donohoue, P, Pacesa, M, Lau, E, Vidal, B, Irby, M.J, Nyer, D.B, Rotstein, T, Banh, L, Toh, M.T, Gibson, J, Kohrs, B, Baek, K, Owen, A.L.G, Slorach, E.M, van Overbeek, M, Fuller, C.K, May, A.P, Jinek, M, Cameron, P.
Deposit date:2021-06-22
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Conformational control of Cas9 by CRISPR hybrid RNA-DNA guides mitigates off-target activity in T cells.
Mol.Cell, 81, 2021
7PFY
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BU of 7pfy by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2241
Descriptor: Inhibitor MI-2241, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-08-12
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7PG1
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BU of 7pg1 by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2221
Descriptor: Inhibitor MI-2221, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-08-12
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7PFQ
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BU of 7pfq by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2247
Descriptor: Inhibitor MI-2247, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-08-11
Release date:2022-08-24
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
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
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
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
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:2024-07-10
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:2024-07-10
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
1EB1
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BU of 1eb1 by Molmil
Complex structure of human thrombin with N-methyl-arginine inhibitor
Descriptor: 3-CYCLOHEXYL-D-ALANYL-L-PROLYL-N~2~-METHYL-L-ARGININE, PEPTIDE INHIBITOR, THROMBIN HEAVY CHAIN, ...
Authors:Friedrich, R, Steinmetzer, T, Bode, W.
Deposit date:2001-07-18
Release date:2002-01-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Methyl Group of N(Alpha)(Me)Arg-Containing Peptides Disturbs the Active-Site Geometry of Thrombin, Impairing Efficient Cleavage
J.Mol.Biol., 316, 2002
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
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
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
7ZW5
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BU of 7zw5 by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2259
Descriptor: 1-[(8R,15S,18S)-15-(4-azanylbutyl)-18-(2-carbamimidamidoethyl)-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:2022-05-18
Release date:2023-05-31
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease.
Arch Pharm, 2024
7ZVV
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BU of 7zvv by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2196
Descriptor: (2R)-6-azanyl-2-carbamimidamido-hexanoic acid, 2-[3-(aminomethyl)phenyl]ethanoic acid, 3-cyano-L-phenylalanine, ...
Authors:Huber, S, Steinmetzer, T.
Deposit date:2022-05-17
Release date:2023-05-24
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease.
Arch Pharm, 2024
8A15
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BU of 8a15 by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2230
Descriptor: 1-[(8~{R},15~{S},18~{S})-15-(4-azanylbutyl)-18-(naphthalen-2-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:2022-05-31
Release date:2023-06-14
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease.
Arch Pharm, 2024

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PDB entries from 2024-09-11

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