8FVP
 
 | | PCSK9 in complex with an inhibitor | | Descriptor: | CALCIUM ION, PPI-YD5-NLE-7T2-SER-7T2-DPP-GLY-NH2 inhibitor, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Xu, M, Chopra, R. | | Deposit date: | 2023-01-19 | | Release date: | 2024-10-16 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.602 Å) | | Cite: | Discovery of Truncated Cyclic Peptides Targeting an Induced-Fit Pocket on PCSK9.
Chemmedchem, 19, 2024
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8FVQ
 | | PCSK9 in complex with an inhibitor | | Descriptor: | ACE-PHE-VAL-DAB-THR-THR-PHE-MAA-BIF-YBR inhibitor, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Xu, M, Chopra, R. | | Deposit date: | 2023-01-19 | | Release date: | 2024-10-16 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Discovery of Truncated Cyclic Peptides Targeting an Induced-Fit Pocket on PCSK9.
Chemmedchem, 19, 2024
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8FVL
 | | PCSK9 in complex with an inhibitor | | Descriptor: | Proprotein convertase subtilisin/kexin type 9, YBX-YC3-VAL-PRO-THR-THR-PHE-MAA-CYS-MN1 inhibitor | | Authors: | Xu, M, Chopra, R. | | Deposit date: | 2023-01-19 | | Release date: | 2024-10-16 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (1.961 Å) | | Cite: | Discovery of Truncated Cyclic Peptides Targeting an Induced-Fit Pocket on PCSK9.
Chemmedchem, 19, 2024
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8FVM
 | | PCSK9 in complex with an inhibitor | | Descriptor: | CALCIUM ION, DGN-DVA-YC3-GLU-PRO-THR-THR-PHE-MAA-A1BC0 inhibitor, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Xu, M, Chopra, R. | | Deposit date: | 2023-01-19 | | Release date: | 2024-10-16 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.852 Å) | | Cite: | Discovery of Truncated Cyclic Peptides Targeting an Induced-Fit Pocket on PCSK9.
Chemmedchem, 19, 2024
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8FVN
 | | PCSK9 in complex with an inhibitor | | Descriptor: | MCR-ALO-MAA-ALA-MAA-NLE-7T2-SER-7T2-ALA-NH2 inhibitor, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Xu, M, Chopra, R. | | Deposit date: | 2023-01-19 | | Release date: | 2024-10-16 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Discovery of Truncated Cyclic Peptides Targeting an Induced-Fit Pocket on PCSK9.
Chemmedchem, 19, 2024
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9MDC
 | | 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 | | Descriptor: | Cyclic GMP-AMP synthase, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Sietsema, D.V. | | Deposit date: | 2024-12-05 | | Release date: | 2025-01-01 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Discovery of Potent and Orally Bioavailable Pyrimidine Amide cGAS Inhibitors via Structure-Guided Hybridization.
Acs Med.Chem.Lett., 15, 2024
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9MDD
 | | 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 | | Descriptor: | 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, ... | | Authors: | Sietsema, D.V. | | Deposit date: | 2024-12-05 | | Release date: | 2025-01-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Potent and Orally Bioavailable Pyrimidine Amide cGAS Inhibitors via Structure-Guided Hybridization.
Acs Med.Chem.Lett., 15, 2024
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2V9T
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2V9S
 | | Second LRR domain of human Slit2 | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SLIT HOMOLOG 2 PROTEIN N-PRODUCT | | Authors: | Morlot, C, Cusack, S, McCarthy, A.A. | | Deposit date: | 2007-08-25 | | Release date: | 2007-09-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Insights Into the Slit-Robo Complex.
Proc.Natl.Acad.Sci.USA, 104, 2007
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2V9R
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2V70
 | | Third LRR domain of human Slit2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SLIT HOMOLOG 2 PROTEIN N-PRODUCT | | Authors: | Morlot, C, Cusack, S, McCarthy, A.A. | | Deposit date: | 2007-07-24 | | Release date: | 2007-08-28 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | 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
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6ML1
 | | Structure of the USP15 deubiquitinase domain in complex with an affinity-matured inhibitory Ubv | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2018-09-26 | | Release date: | 2019-01-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15.
Structure, 27, 2019
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2V9Q
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1F5J
 | | CRYSTAL STRUCTURE OF XYNB, A HIGHLY THERMOSTABLE BETA-1,4-XYLANASE FROM DICTYOGLOMUS THERMOPHILUM RT46B.1, AT 1.8 A RESOLUTION | | Descriptor: | BETA-1,4-XYLANASE, SULFATE ION | | Authors: | McCarthy, A.A, Baker, E.N. | | Deposit date: | 2000-07-26 | | Release date: | 2000-11-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 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
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1FL1
 | | KSHV PROTEASE | | Descriptor: | POTASSIUM ION, PROTEASE | | Authors: | Reiling, K.K, Pray, T.R, Craik, C.S, Stroud, R.M. | | Deposit date: | 2000-08-11 | | Release date: | 2000-11-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Functional consequences of the Kaposi's sarcoma-associated herpesvirus protease structure: regulation of activity and dimerization by conserved structural elements.
Biochemistry, 39, 2000
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6CRN
 | | Structure of the USP15 deubiquitinase domain in complex with a high-affinity first-generation Ubv | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 15, Ubiquitin variant 15.2, ZINC ION | | Authors: | Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2018-03-19 | | Release date: | 2019-01-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15.
Structure, 27, 2019
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6CPM
 | | Structure of the USP15 deubiquitinase domain in complex with a third-generation inhibitory Ubv | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2018-03-13 | | Release date: | 2019-01-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.011 Å) | | Cite: | Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15.
Structure, 27, 2019
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6DJ9
 | | Structure of the USP15 DUSP domain in complex with a high-affinity Ubiquitin Variant (UbV) | | Descriptor: | Ubiquitin Variant UbV 15.D, Ubiquitin carboxyl-terminal hydrolase 15 | | Authors: | Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2018-05-24 | | Release date: | 2019-01-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15.
Structure, 27, 2019
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1LW1
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1T96
 | | r106g kdo8ps with pep | | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, PHOSPHATE ION, ... | | Authors: | Gatti, D.L. | | Deposit date: | 2004-05-14 | | Release date: | 2005-06-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase.
To be Published
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1T8X
 | | r106g kdo8ps with pep and a5p | | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, ARABINOSE-5-PHOSPHATE, CADMIUM ION, ... | | Authors: | Gatti, D.L. | | Deposit date: | 2004-05-13 | | Release date: | 2005-06-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase.
To be Published
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1T99
 | | r106g kdo8ps without substrates | | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, PHOSPHATE ION | | Authors: | Gatti, D.L. | | Deposit date: | 2004-05-16 | | Release date: | 2005-06-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase.
To be Published
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1UL9
 | | CGL2 ligandfree | | Descriptor: | galectin-2 | | Authors: | Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N. | | Deposit date: | 2003-09-12 | | Release date: | 2004-04-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structure and Functional Analysis of the Fungal Galectin CGL2
STRUCTURE, 12, 2004
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1ULC
 | | CGL2 in complex with lactose | | Descriptor: | beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, galectin-2 | | Authors: | Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N. | | Deposit date: | 2003-09-12 | | Release date: | 2004-04-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and Functional Analysis of the Fungal Galectin CGL2
STRUCTURE, 12, 2004
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1ULF
 | | CGL2 in complex with Blood Group A tetrasaccharide | | Descriptor: | alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, galectin-2 | | Authors: | Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N. | | Deposit date: | 2003-09-12 | | Release date: | 2004-04-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Structure and Functional Analysis of the Fungal Galectin CGL2
STRUCTURE, 12, 2004
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