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8FVP
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BU of 8fvp by Molmil
PCSK9 in complex with an inhibitor
分子名称: CALCIUM ION, PPI-YD5-NLE-7T2-SER-7T2-DPP-GLY-NH2 inhibitor, Proprotein convertase subtilisin/kexin type 9
著者Xu, M, Chopra, R.
登録日2023-01-19
公開日2024-10-16
最終更新日2025-04-30
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Discovery of Truncated Cyclic Peptides Targeting an Induced-Fit Pocket on PCSK9.
Chemmedchem, 19, 2024
8FVQ
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BU of 8fvq by Molmil
PCSK9 in complex with an inhibitor
分子名称: ACE-PHE-VAL-DAB-THR-THR-PHE-MAA-BIF-YBR inhibitor, Proprotein convertase subtilisin/kexin type 9
著者Xu, M, Chopra, R.
登録日2023-01-19
公開日2024-10-16
最終更新日2025-04-30
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Discovery of Truncated Cyclic Peptides Targeting an Induced-Fit Pocket on PCSK9.
Chemmedchem, 19, 2024
8FVL
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BU of 8fvl by Molmil
PCSK9 in complex with an inhibitor
分子名称: Proprotein convertase subtilisin/kexin type 9, YBX-YC3-VAL-PRO-THR-THR-PHE-MAA-CYS-MN1 inhibitor
著者Xu, M, Chopra, R.
登録日2023-01-19
公開日2024-10-16
最終更新日2025-04-30
実験手法X-RAY DIFFRACTION (1.961 Å)
主引用文献Discovery of Truncated Cyclic Peptides Targeting an Induced-Fit Pocket on PCSK9.
Chemmedchem, 19, 2024
8FVM
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BU of 8fvm by Molmil
PCSK9 in complex with an inhibitor
分子名称: CALCIUM ION, DGN-DVA-YC3-GLU-PRO-THR-THR-PHE-MAA-A1BC0 inhibitor, Proprotein convertase subtilisin/kexin type 9
著者Xu, M, Chopra, R.
登録日2023-01-19
公開日2024-10-16
最終更新日2025-04-30
実験手法X-RAY DIFFRACTION (2.852 Å)
主引用文献Discovery of Truncated Cyclic Peptides Targeting an Induced-Fit Pocket on PCSK9.
Chemmedchem, 19, 2024
8FVN
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BU of 8fvn by Molmil
PCSK9 in complex with an inhibitor
分子名称: MCR-ALO-MAA-ALA-MAA-NLE-7T2-SER-7T2-ALA-NH2 inhibitor, Proprotein convertase subtilisin/kexin type 9
著者Xu, M, Chopra, R.
登録日2023-01-19
公開日2024-10-16
最終更新日2025-04-30
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Discovery of Truncated Cyclic Peptides Targeting an Induced-Fit Pocket on PCSK9.
Chemmedchem, 19, 2024
9MDC
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BU of 9mdc by Molmil
Crystal Structure of human cyclic GMP-AMP synthase (cGAS) in complex with compound 36; (S)-(6,7-dichloro-1-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)(5-(2-hydroxyethoxy)pyrimidin-2-yl)methanone
分子名称: Cyclic GMP-AMP synthase, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Sietsema, D.V.
登録日2024-12-05
公開日2025-01-01
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyrimidine Amide cGAS Inhibitors via Structure-Guided Hybridization.
Acs Med.Chem.Lett., 15, 2024
9MDD
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BU of 9mdd by Molmil
Crystal Structure of human cyclic GMP-AMP synthase (cGAS) in complex with compound 23; (S)-1-(6,7-dichloro-1-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-methoxyethan-1-one
分子名称: 3-{[(2S)-1-{[(5P)-3-chloro-5-(1H-imidazol-2-yl)phenyl]amino}-1-oxopropan-2-yl](methyl)carbamoyl}pyridine-2-carboxylic acid, Cyclic GMP-AMP synthase, MANGANESE (II) ION, ...
著者Sietsema, D.V.
登録日2024-12-05
公開日2025-01-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Potent and Orally Bioavailable Pyrimidine Amide cGAS Inhibitors via Structure-Guided Hybridization.
Acs Med.Chem.Lett., 15, 2024
2V9T
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BU of 2v9t by Molmil
Complex between the second LRR domain of Slit2 and The first Ig domain from Robo1
分子名称: ROUNDABOUT HOMOLOG 1, SLIT HOMOLOG 2 PROTEIN N-PRODUCT
著者Morlot, C, Cusack, S, McCarthy, A.A.
登録日2007-08-25
公開日2007-09-25
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Insights Into the Slit-Robo Complex.
Proc.Natl.Acad.Sci.USA, 104, 2007
2V9S
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BU of 2v9s by Molmil
Second LRR domain of human Slit2
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, SLIT HOMOLOG 2 PROTEIN N-PRODUCT
著者Morlot, C, Cusack, S, McCarthy, A.A.
登録日2007-08-25
公開日2007-09-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights Into the Slit-Robo Complex.
Proc.Natl.Acad.Sci.USA, 104, 2007
2V9R
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BU of 2v9r by Molmil
First and second Ig domains from human Robo1 (Form 2)
分子名称: ROUNDABOUT HOMOLOG 1, SULFATE ION
著者Morlot, C, Cusack, S, McCarthy, A.A.
登録日2007-08-25
公開日2007-09-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights Into the Slit-Robo Complex.
Proc.Natl.Acad.Sci.USA, 104, 2007
2V70
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BU of 2v70 by Molmil
Third LRR domain of human Slit2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SLIT HOMOLOG 2 PROTEIN N-PRODUCT
著者Morlot, C, Cusack, S, McCarthy, A.A.
登録日2007-07-24
公開日2007-08-28
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Production of Slit2 Lrr Domains in Mammalian Cells for Structural Studies and the Structure of Human Slit2 Domain 3.
Acta Crystallogr.,Sect.D, 63, 2007
6ML1
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BU of 6ml1 by Molmil
Structure of the USP15 deubiquitinase domain in complex with an affinity-matured inhibitory Ubv
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S.
登録日2018-09-26
公開日2019-01-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15.
Structure, 27, 2019
2V9Q
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BU of 2v9q by Molmil
First and second Ig domains from human Robo1
分子名称: MERCURY (II) ION, ROUNDABOUT HOMOLOG 1
著者Morlot, C, Cusack, S, McCarthy, A.A.
登録日2007-08-25
公開日2007-09-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Insights Into the Slit-Robo Complex.
Proc.Natl.Acad.Sci.USA, 104, 2007
1F5J
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BU of 1f5j by Molmil
CRYSTAL STRUCTURE OF XYNB, A HIGHLY THERMOSTABLE BETA-1,4-XYLANASE FROM DICTYOGLOMUS THERMOPHILUM RT46B.1, AT 1.8 A RESOLUTION
分子名称: BETA-1,4-XYLANASE, SULFATE ION
著者McCarthy, A.A, Baker, E.N.
登録日2000-07-26
公開日2000-11-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of XynB, a highly thermostable beta-1,4-xylanase from Dictyoglomus thermophilum Rt46B.1, at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 56, 2000
1FL1
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BU of 1fl1 by Molmil
KSHV PROTEASE
分子名称: POTASSIUM ION, PROTEASE
著者Reiling, K.K, Pray, T.R, Craik, C.S, Stroud, R.M.
登録日2000-08-11
公開日2000-11-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Functional consequences of the Kaposi's sarcoma-associated herpesvirus protease structure: regulation of activity and dimerization by conserved structural elements.
Biochemistry, 39, 2000
6CRN
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BU of 6crn by Molmil
Structure of the USP15 deubiquitinase domain in complex with a high-affinity first-generation Ubv
分子名称: Ubiquitin carboxyl-terminal hydrolase 15, Ubiquitin variant 15.2, ZINC ION
著者Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S.
登録日2018-03-19
公開日2019-01-23
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15.
Structure, 27, 2019
6CPM
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BU of 6cpm by Molmil
Structure of the USP15 deubiquitinase domain in complex with a third-generation inhibitory Ubv
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S.
登録日2018-03-13
公開日2019-01-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.011 Å)
主引用文献Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15.
Structure, 27, 2019
6DJ9
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BU of 6dj9 by Molmil
Structure of the USP15 DUSP domain in complex with a high-affinity Ubiquitin Variant (UbV)
分子名称: Ubiquitin Variant UbV 15.D, Ubiquitin carboxyl-terminal hydrolase 15
著者Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S.
登録日2018-05-24
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15.
Structure, 27, 2019
1LW1
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BU of 1lw1 by Molmil
Crystal Structure Of Mycobacterium Tuberculosis Alkylperoxidase Ahpd H137F mutant
分子名称: ALKYLHYDROPEROXIDASE D
著者Nunn, C.M, Djordjevic, S, Ortiz de Montellano, P.R.
登録日2002-05-30
公開日2002-07-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Mechanism of Mycobacterium tuberculosis Alkylhydroperoxidase AhpD as Defined by Mutagenesis, Crystallography, and Kinetics
J.Biol.Chem., 278, 2003
1T96
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BU of 1t96 by Molmil
r106g kdo8ps with pep
分子名称: 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, PHOSPHATE ION, ...
著者Gatti, D.L.
登録日2004-05-14
公開日2005-06-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase.
To be Published
1T8X
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BU of 1t8x by Molmil
r106g kdo8ps with pep and a5p
分子名称: 2-dehydro-3-deoxyphosphooctonate aldolase, ARABINOSE-5-PHOSPHATE, CADMIUM ION, ...
著者Gatti, D.L.
登録日2004-05-13
公開日2005-06-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase.
To be Published
1T99
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BU of 1t99 by Molmil
r106g kdo8ps without substrates
分子名称: 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, PHOSPHATE ION
著者Gatti, D.L.
登録日2004-05-16
公開日2005-06-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase.
To be Published
1UL9
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BU of 1ul9 by Molmil
CGL2 ligandfree
分子名称: galectin-2
著者Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N.
登録日2003-09-12
公開日2004-04-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structure and Functional Analysis of the Fungal Galectin CGL2
STRUCTURE, 12, 2004
1ULC
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CGL2 in complex with lactose
分子名称: beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, galectin-2
著者Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N.
登録日2003-09-12
公開日2004-04-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and Functional Analysis of the Fungal Galectin CGL2
STRUCTURE, 12, 2004
1ULF
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CGL2 in complex with Blood Group A tetrasaccharide
分子名称: alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, galectin-2
著者Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N.
登録日2003-09-12
公開日2004-04-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structure and Functional Analysis of the Fungal Galectin CGL2
STRUCTURE, 12, 2004

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