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2TEC
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BU of 2tec by Molmil
MOLECULAR DYNAMICS REFINEMENT OF A THERMITASE-EGLIN-C COMPLEX AT 1.98 ANGSTROMS RESOLUTION AND COMPARISON OF TWO CRYSTAL FORMS THAT DIFFER IN CALCIUM CONTENT
分子名称: CALCIUM ION, EGLIN C, THERMITASE
著者Gros, P, Betzel, C, Dauter, Z, Wilson, K.S, Hol, W.G.J.
登録日1990-10-26
公開日1992-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Molecular dynamics refinement of a thermitase-eglin-c complex at 1.98 A resolution and comparison of two crystal forms that differ in calcium content.
J.Mol.Biol., 210, 1989
8OYH
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BU of 8oyh by Molmil
X-ray structure of furin (PCSK3) in complex with Guanidinomethyl-Phac-Can-Tle-Can-6-(aminomethyl)-3-amino-isoindol
分子名称: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Dahms, S.O, Brandstetter, H.
登録日2023-05-04
公開日2024-03-13
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors.
Chemmedchem, 19, 2024
2SIC
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BU of 2sic by Molmil
REFINED CRYSTAL STRUCTURE OF THE COMPLEX OF SUBTILISIN BPN' AND STREPTOMYCES SUBTILISIN INHIBITOR AT 1.8 ANGSTROMS RESOLUTION
分子名称: CALCIUM ION, STREPTOMYCES SUBTILISIN INHIBITOR (SSI), SUBTILISIN BPN'
著者Mitsui, Y, Takeuchi, Y, Hirono, S, Akagawa, H, Nakamura, K.T.
登録日1991-04-01
公開日1993-04-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Refined crystal structure of the complex of subtilisin BPN' and Streptomyces subtilisin inhibitor at 1.8 A resolution.
J.Mol.Biol., 221, 1991
2SNI
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BU of 2sni by Molmil
STRUCTURAL COMPARISON OF TWO SERINE PROTEINASE-PROTEIN INHIBITOR COMPLEXES. EGLIN-C-SUBTILISIN CARLSBERG AND CI-2-SUBTILISIN NOVO
分子名称: CALCIUM ION, CHYMOTRYPSIN INHIBITOR 2, SUBTILISIN NOVO
著者Mcphalen, C.A, James, M.N.G.
登録日1988-09-05
公開日1988-09-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural comparison of two serine proteinase-protein inhibitor complexes: eglin-c-subtilisin Carlsberg and CI-2-subtilisin Novo.
Biochemistry, 27, 1988
6EQX
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BU of 6eqx by Molmil
X-ray structure of the proprotein convertase furin bound with the competitive inhibitor Arg-Arg-Arg-Val-Arg-Amba
分子名称: Arg-Arg-Arg-Val-Arg-00S, CALCIUM ION, CHLORIDE ION, ...
著者Dahms, S.O, Than, M.E.
登録日2017-10-16
公開日2018-02-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.994 Å)
主引用文献X-ray Structures of the Proprotein Convertase Furin Bound with Substrate Analogue Inhibitors Reveal Substrate Specificity Determinants beyond the S4 Pocket.
Biochemistry, 57, 2018
8POL
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BU of 8pol by Molmil
Crystal structure of Plasmodium falciparum Sub1 protease
分子名称: CALCIUM ION, PHOSPHATE ION, Subtilisin-like protease 1
著者Martinez, M, Bouillon, A, Haouz, A, Barale, J.C, Alzari, P.M.
登録日2023-07-05
公開日2024-03-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Prodomain-driven enzyme dimerization: a pH-dependent autoinhibition mechanism that controls Plasmodium Sub1 activity before merozoite egress.
Mbio, 15, 2024
2ID4
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BU of 2id4 by Molmil
The 1.9 A structure of Kex2 in complex with an Ac-R-E-R-K-chloromethyl ketone inhibitor.
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Ac-RERK-CMK inhibitor, ...
著者Wheatley, J.L, Holyoak, T.
登録日2006-09-14
公開日2007-05-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Differential P1 arginine and lysine recognition in the prototypical proprotein convertase Kex2.
Proc.Natl.Acad.Sci.Usa, 104, 2007
6EQW
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BU of 6eqw by Molmil
X-ray structure of the proprotein convertase furin bound with the competitive inhibitor 4-aminomethyl-phenylacetyl-Arg-Val-Arg-Amba
分子名称: AMA-ARG-TBG-ARG-00S, CALCIUM ION, CHLORIDE ION, ...
著者Dahms, S.O, Than, M.E.
登録日2017-10-16
公開日2018-02-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.994 Å)
主引用文献X-ray Structures of the Proprotein Convertase Furin Bound with Substrate Analogue Inhibitors Reveal Substrate Specificity Determinants beyond the S4 Pocket.
Biochemistry, 57, 2018
6EQV
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BU of 6eqv by Molmil
X-ray structure of the proprotein convertase furin bound with the competitive inhibitor Phac-Cit-Val-Arg-Amba
分子名称: CALCIUM ION, CHLORIDE ION, Furin, ...
著者Dahms, S.O, Than, M.E.
登録日2017-10-16
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献X-ray Structures of the Proprotein Convertase Furin Bound with Substrate Analogue Inhibitors Reveal Substrate Specificity Determinants beyond the S4 Pocket.
Biochemistry, 57, 2018
8QKE
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BU of 8qke by Molmil
PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MH-13)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Peptidomimetic Inhibitor (MH-13), ...
著者Batista, F.A, Martinez, M, Bouillon, A, Mechaly, A, Alzari, P.M, Haouz, A, Barale, J.C.
登録日2023-09-15
公開日2024-03-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.504 Å)
主引用文献Insights from structure-activity relationships and the binding mode of peptidic alpha-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1.
Eur.J.Med.Chem., 269, 2024
8QKJ
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BU of 8qkj by Molmil
PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MAM-133)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Peptidomimetic Inhibitor (MAM-133), ...
著者Batista, F.A, Martinez, M, Bouillon, A, Mechaly, A, Alzari, P.M, Haouz, A, Barale, J.C.
登録日2023-09-15
公開日2024-03-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.767 Å)
主引用文献Insights from structure-activity relationships and the binding mode of peptidic alpha-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1.
Eur.J.Med.Chem., 269, 2024
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
分子名称: 2UC-ARG-VAL-ARG-00S, CALCIUM ION, CHLORIDE ION, ...
著者Dahms, S.O, Arciniega, M, Steinmetzer, T, Huber, R, Than, M.E.
登録日2016-05-13
公開日2016-10-05
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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.
分子名称: CALCIUM ION, CHLORIDE ION, Furin, ...
著者Dahms, S.O, Arciniega, M, Steinmetzer, T, Huber, R, Than, M.E.
登録日2016-05-13
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the unliganded form of the proprotein convertase furin suggests activation by a substrate-induced mechanism.
Proc.Natl.Acad.Sci.USA, 113, 2016
8QKG
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BU of 8qkg by Molmil
PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MAM-125)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Peptidomimetic Inhibitor (MAM-125), ...
著者Batista, F.A, Martinez, M, Bouillon, A, Mechaly, A, Alzari, P.M, Haouz, A, Barale, J.C.
登録日2023-09-15
公開日2024-03-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.538 Å)
主引用文献Insights from structure-activity relationships and the binding mode of peptidic alpha-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1.
Eur.J.Med.Chem., 269, 2024
5JXG
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BU of 5jxg by Molmil
Structure of the unliganded form of the proprotein convertase furin.
分子名称: CALCIUM ION, CHLORIDE ION, Furin, ...
著者Dahms, S.O, Arciniega, M, Steinmetzer, T, Huber, R, Than, M.E.
登録日2016-05-13
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the unliganded form of the proprotein convertase furin suggests activation by a substrate-induced mechanism.
Proc.Natl.Acad.Sci.USA, 113, 2016
5JMO
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BU of 5jmo by Molmil
X-ray structure of furin in complex with the inhibitory antibody Nb14
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CMK-inhibitor, ...
著者Dahms, S.O, Than, M.E.
登録日2016-04-29
公開日2016-12-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献The structure of a furin-antibody complex explains non-competitive inhibition by steric exclusion of substrate conformers.
Sci Rep, 6, 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.
分子名称: 2UC-ARG-VAL-ARG-00S, CALCIUM ION, CHLORIDE ION, ...
著者Dahms, S.O, Arciniega, M, Steinmetzer, T, Huber, R, Than, M.E.
登録日2016-05-13
公開日2016-10-05
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the unliganded form of the proprotein convertase furin suggests activation by a substrate-induced mechanism.
Proc.Natl.Acad.Sci.USA, 113, 2016
5VLK
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BU of 5vlk by Molmil
Short PCSK9 delta-P' complex with shrunken peptide bearing homo-Arginine
分子名称: ACE-THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-NH2 peptide, ACE-TRP-ASN-LEU-VAL-HRG-ILE-GLY-LEU-LEU peptide, CALCIUM ION, ...
著者Eigenbrot, C, Ultsch, M.
登録日2017-04-25
公開日2017-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
5VLP
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BU of 5vlp by Molmil
PCSK9 complex with LDLR antagonist peptide and Fab7G7
分子名称: Fab7G7 heavy chain, Fab7G7 light chain, LDLR antagonist peptide, ...
著者Eigenbrot, C, Ultsch, M.
登録日2017-04-25
公開日2017-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
5VLA
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BU of 5vla by Molmil
Short PCSK9 delta-P' complex with Fusion2 peptide
分子名称: CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-MET-PRO-TRP-ASN-LEU-VAL-ARG-ILE-GLY-LEU-LEU
著者Eigenbrot, C, Ultsch, M.
登録日2017-04-25
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
5VLH
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BU of 5vlh by Molmil
Short PCSK9 delta-P' complex with peptide Pep1
分子名称: ACE-THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-NH2, CALCIUM ION, CYS-ARG-LEU-PRO-TRP-ASN-LEU-GLN-ARG-ILE-GLY-LEU-PRO-CYS, ...
著者Eigenbrot, C, Ultsch, M.
登録日2017-04-25
公開日2017-08-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
5VLL
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BU of 5vll by Molmil
Short PCSK9 delta-P' complex with peptide Pep3
分子名称: ACE-THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-NH2, CALCIUM ION, CYS-PHE-ILE-PRO-TRP-ASN-LEU-GLN-ARG-ILE-GLY-LEU-LEU-CYS, ...
著者Eigenbrot, C, Ultsch, M.
登録日2017-04-25
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
7O1Y
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BU of 7o1y by Molmil
X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 2 (mi307) soaked at 0.25 M NaCl
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Dahms, S.O, Brandstetter, H.
登録日2021-03-30
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献OFF-State-Specific Inhibition of the Proprotein Convertase Furin.
Acs Chem.Biol., 16, 2021
7O22
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BU of 7o22 by Molmil
X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 4 (mi359)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Dahms, S.O, Brandstetter, H.
登録日2021-03-30
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献OFF-State-Specific Inhibition of the Proprotein Convertase Furin.
Acs Chem.Biol., 16, 2021
7O1U
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BU of 7o1u by Molmil
X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 1 (BEV241)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Dahms, S.O, Brandstetter, H.
登録日2021-03-30
公開日2021-09-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献OFF-State-Specific Inhibition of the Proprotein Convertase Furin.
Acs Chem.Biol., 16, 2021

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