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5RPM
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BU of 5rpm by Molmil
PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen H5a
Descriptor: 4-HYDROXYBENZAMIDE, Proteinase K, SULFATE ION
Authors:Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
Deposit date:2020-09-23
Release date:2021-05-26
Last modified:2021-06-23
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RPN
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BU of 5rpn by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo64
Descriptor: Proteinase K, SULFATE ION
Authors:Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
Deposit date:2020-09-23
Release date:2021-05-26
Last modified:2021-06-23
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RPO
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BU of 5rpo by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo7
Descriptor: Proteinase K, SULFATE ION
Authors:Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
Deposit date:2020-09-23
Release date:2021-05-26
Last modified:2021-06-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RPW
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BU of 5rpw by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo63
Descriptor: Proteinase K
Authors:Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
Deposit date:2020-09-23
Release date:2021-05-26
Last modified:2021-06-23
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5ROR
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BU of 5ror by Molmil
PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen F1a
Descriptor: NICOTINAMIDE, Proteinase K, SULFATE ION
Authors:Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
Deposit date:2020-09-23
Release date:2021-05-26
Last modified:2021-06-23
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5ROS
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BU of 5ros by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo34
Descriptor: Proteinase K, SULFATE ION
Authors:Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
Deposit date:2020-09-23
Release date:2021-05-26
Last modified:2021-06-23
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RP4
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BU of 5rp4 by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo70
Descriptor: Proteinase K, SULFATE ION
Authors:Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
Deposit date:2020-09-23
Release date:2021-05-26
Last modified:2021-06-23
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RPR
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BU of 5rpr by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo15
Descriptor: Proteinase K, SULFATE ION
Authors:Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
Deposit date:2020-09-23
Release date:2021-05-26
Last modified:2021-06-23
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
7NPS
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BU of 7nps by Molmil
Structure of the periplasmic assembly from the ESX-5 inner membrane complex, C1 model
Descriptor: ESX-5 secretion system ATPase EccB5, Mycosin-5
Authors:Fahrenkamp, D, Bunduc, C.M, Wald, J, Ummels, R, Bitter, W, Houben, E.N.G, Marlovits, T.C.
Deposit date:2021-02-28
Release date:2021-05-26
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (3.81 Å)
Cite:Structure and dynamics of a mycobacterial type VII secretion system.
Nature, 593, 2021
7BJ3
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BU of 7bj3 by Molmil
ScpA from Streptococcus pyogenes, S512A active site mutant
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, C5a peptidase, CALCIUM ION, ...
Authors:Kagawa, T.F, O'Connell, M.R, Cooney, J.C.
Deposit date:2021-01-13
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Enzyme kinetic and binding studies identify determinants of specificity for the immunomodulatory enzyme ScpA, a C5a inactivating bacterial protease.
Comput Struct Biotechnol J, 19, 2021
7EDD
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BU of 7edd by Molmil
Crystal structure of a serine protease from Streptococcus pyogenes
Descriptor: C5a peptidase, CALCIUM ION, CHLORIDE ION, ...
Authors:Jobichen, C, Sivaraman, J.
Deposit date:2021-03-15
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.897 Å)
Cite:The Autocatalytic Cleavage Domain Is Not Required for the Activity of ScpC, a Virulence Protease from Streptococcus pyogenes : A Structural Insight.
Biochemistry, 60, 2021
6YD7
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BU of 6yd7 by Molmil
X-ray structure of furin in complex with the canavanine-based inhibitor 4-guanidinomethyl-phenylacetyl-Arg-Tle-Canavanine-Amba
Descriptor: 4-guanidinomethyl-phenylacetyl-Arg-Tle-Canavanine-Amba, CALCIUM ION, CHLORIDE ION, ...
Authors:Dahms, S.O.
Deposit date:2020-03-20
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Basicity Makes the Difference: Improved Canavanine-Derived Inhibitors of the Proprotein Convertase Furin.
Acs Med.Chem.Lett., 12, 2021
6YD4
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BU of 6yd4 by Molmil
X-ray structure of furin in complex with the canavanine-based inhibitor 4-guanidinomethyl-phenylacetyl-Canavanine-Tle-Canavanine-Amba
Descriptor: 4-guanidinomethyl-phenylacetyl-Canavanine-Tle-Canavanine-Amba, CALCIUM ION, CHLORIDE ION, ...
Authors:Dahms, S.O.
Deposit date:2020-03-20
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Basicity Makes the Difference: Improved Canavanine-Derived Inhibitors of the Proprotein Convertase Furin.
Acs Med.Chem.Lett., 12, 2021
6YD2
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BU of 6yd2 by Molmil
X-ray structure of furin in complex with the canavanine-based inhibitor 4-aminomethyl-phenylacetyl-canavanine-Tle-Arg-Amba
Descriptor: 4-aminomethyl-phenylacetyl-canavanine-Tle-Arg-Amba, CALCIUM ION, CHLORIDE ION, ...
Authors:Dahms, S.O.
Deposit date:2020-03-20
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Basicity Makes the Difference: Improved Canavanine-Derived Inhibitors of the Proprotein Convertase Furin.
Acs Med.Chem.Lett., 12, 2021
6YD3
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BU of 6yd3 by Molmil
X-ray structure of furin in complex with the canavanine derived inhibitor 4-guanidinomethyl-phenylacetyl-Canavanine-Tle-Arg-Amba
Descriptor: 4-guanidinomethyl-phenylacetyl-Canavanine-Tle-Arg-Amba, CALCIUM ION, CHLORIDE ION, ...
Authors:Dahms, S.O.
Deposit date:2020-03-20
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Basicity Makes the Difference: Improved Canavanine-Derived Inhibitors of the Proprotein Convertase Furin.
Acs Med.Chem.Lett., 12, 2021
7AM3
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BU of 7am3 by Molmil
Crystal structure of Peptiligase mutant - M222P
Descriptor: GLYCEROL, SULFATE ION, Subtilisin BPN'
Authors:Rozeboom, H.J, Janssen, D.J.
Deposit date:2020-10-08
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase.
Comput Struct Biotechnol J, 19, 2021
7AM6
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BU of 7am6 by Molmil
Crystal structure of Peptiligase mutant - L217H/M222P/A225N/F189W
Descriptor: D(-)-TARTARIC ACID, GLYCEROL, LEU-PRO-GLU-GLY-SER-PRO-VAL-THR-ASP-LEU-ARG-TYR, ...
Authors:Rozeboom, H.J, Janssen, D.J.
Deposit date:2020-10-08
Release date:2021-02-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase.
Comput Struct Biotechnol J, 19, 2021
7AM8
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BU of 7am8 by Molmil
Crystal structure of Omniligase mutant W189F
Descriptor: ACRYLIC ACID, CHLORIDE ION, HISTIDINE, ...
Authors:Rozeboom, H.J, Janssen, D.J.
Deposit date:2020-10-08
Release date:2021-02-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase.
Comput Struct Biotechnol J, 19, 2021
7AM4
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BU of 7am4 by Molmil
Crystal structure of Peptiligase mutant - L217H/M222P
Descriptor: GLYCEROL, SULFATE ION, Subtilisin BPN'
Authors:Rozeboom, H.J, Janssen, D.J.
Deposit date:2020-10-08
Release date:2021-02-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase.
Comput Struct Biotechnol J, 19, 2021
7AM5
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BU of 7am5 by Molmil
Crystal structure of Peptiligase mutant - L217H/M222P/A225N
Descriptor: SODIUM ION, Subtilisin BPN'
Authors:Rozeboom, H.J, Janssen, D.J.
Deposit date:2020-10-08
Release date:2021-02-17
Last modified:2021-03-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase.
Comput Struct Biotechnol J, 19, 2021
7AM7
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BU of 7am7 by Molmil
Crystal structure of Peptiligase mutant - M222P/L217H/A225N/F189W/N218D
Descriptor: Eglin C fragment, GLYCEROL, SULFATE ION, ...
Authors:Rozeboom, H.J, Janssen, D.J.
Deposit date:2020-10-08
Release date:2021-02-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase.
Comput Struct Biotechnol J, 19, 2021
7C0P
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BU of 7c0p by Molmil
Structure of proteinase K obtained in SSRF using serial crystallography
Descriptor: CALCIUM ION, Proteinase K
Authors:Zhao, F.Z.
Deposit date:2020-05-01
Release date:2020-12-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A novel sample delivery system based on circular motion for in situ serial synchrotron crystallography.
Lab Chip, 20, 2020
6XIF
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BU of 6xif by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 83
Descriptor: GLYCEROL, Peptide 83, Proprotein convertase subtilisin/kexin type 9
Authors:Orth, P.
Deposit date:2020-06-19
Release date:2020-11-18
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.774 Å)
Cite:Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
6XIE
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BU of 6xie by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 77
Descriptor: GLYCEROL, Peptide 77, Proprotein convertase subtilisin/kexin type 9
Authors:Orth, P.
Deposit date:2020-06-19
Release date:2020-11-18
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
6XIB
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BU of 6xib by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 30
Descriptor: GLYCEROL, Peptide 30, Proprotein convertase subtilisin/kexin type 9
Authors:Orth, P.
Deposit date:2020-06-19
Release date:2020-11-18
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.546 Å)
Cite:Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020

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