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PDB: 89472 results

4Z3M
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BU of 4z3m by Molmil
X-ray structure of the adduct formed in the reaction between lysozyme and a platinum(II) Complex with S,O Bidentate Ligands (9b)
Descriptor: 1,2-ETHANEDIOL, 3-[2-chloranyl-2-[dimethyl(oxidanyl)-{4}-sulfanyl]-4-ethylsulfanyl-1-oxa-3{3}-thia-2{4}-platinacyclohexa-3,5-dien-6-yl]phenol, DIMETHYL SULFOXIDE, ...
Authors:Merlino, A.
Deposit date:2015-03-31
Release date:2015-09-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Platinum(II) Complexes with O,S Bidentate Ligands: Biophysical Characterization, Antiproliferative Activity, and Crystallographic Evidence of Protein Binding.
Inorg.Chem., 54, 2015
6WF6
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BU of 6wf6 by Molmil
Streptomyces coelicolor methylmalonyl-CoA epimerase
Descriptor: COBALT (II) ION, DI(HYDROXYETHYL)ETHER, Methylmalonyl-CoA epimerase
Authors:Stunkard, L.M, Benjamin, A.B, Bower, J.B, Huth, T.J, Lohman, J.R.
Deposit date:2020-04-03
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Substrate Enolate Intermediate and Mimic Captured in the Active Site of Streptomyces coelicolor Methylmalonyl-CoA Epimerase.
Chembiochem, 23, 2022
6BKQ
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BU of 6bkq by Molmil
Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin E190D mutant in complex with 6'-SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2017-11-09
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A complex epistatic network limits the mutational reversibility in the influenza hemagglutinin receptor-binding site.
Nat Commun, 9, 2018
8Q4U
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BU of 8q4u by Molmil
Crystal structure of YTHDC1 in complex with Compound 36 (ZA_540b)
Descriptor: 9-[(3-chlorophenyl)methyl]-2-fluoranyl-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
7ZJS
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BU of 7zjs by Molmil
Structural basis of centromeric cohesion protection by SGO1
Descriptor: Cohesin subunit SA-2, Double-strand-break repair protein rad21 homolog, Shugoshin 1
Authors:Patel, A, Panne, D.
Deposit date:2022-04-11
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Structural basis of centromeric cohesion protection.
Nat.Struct.Mol.Biol., 30, 2023
6FRX
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BU of 6frx by Molmil
PKA variant as Aurora B mimic in complex with a dianilinopyrimidine inhibitor
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ~{N}-[3-[(5-chloranyl-2-phenylazanyl-pyrimidin-4-yl)amino]phenyl]prop-2-enamide
Authors:Engh, R.A, Kazi, A.A.
Deposit date:2018-02-16
Release date:2019-03-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:PKA variant as Aurora B mimic in complex with a dianilinopyrimidine inhibitor
To Be Published
5YW2
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BU of 5yw2 by Molmil
Crystal structure of Adenine phosphoribosyltransferase from Francisella tularensis.
Descriptor: Adenine phosphoribosyltransferase, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Pavithra, G.C, Ramagopal, U.A.
Deposit date:2017-11-28
Release date:2018-01-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structures of APRT from Francisella tularensis - an N-H···N hydrogen bond imparts adenine specificity in adenine phosporibosyltransferases.
FEBS J., 285, 2018
8Q4Q
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BU of 8q4q by Molmil
Crystal structure of YTHDC1 in complex with Compound 29 (ZA_337)
Descriptor: 4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoic acid, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
7ZLO
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BU of 7zlo by Molmil
Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 12
Descriptor: Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ...
Authors:Ramachandran, S, Ciulli, A, Makukhin, N.
Deposit date:2022-04-15
Release date:2023-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
5JKN
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BU of 5jkn by Molmil
Crystal structure of deubiquitinase MINDY-1
Descriptor: DI(HYDROXYETHYL)ETHER, MERCURY (II) ION, PHOSPHATE ION, ...
Authors:Abdul Rehman, S.A, Kulathu, Y.
Deposit date:2016-04-26
Release date:2016-06-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:MINDY-1 Is a Member of an Evolutionarily Conserved and Structurally Distinct New Family of Deubiquitinating Enzymes.
Mol.Cell, 63, 2016
8Q4R
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BU of 8q4r by Molmil
Crystal structure of YTHDC1 in complex with Compound 30 (ZA_326)
Descriptor: SULFATE ION, YTH domain-containing protein 1, [4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanol
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
5FIB
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BU of 5fib by Molmil
Open form of murine Acid Sphingomyelinase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gorelik, A, Illes, K, Heinz, L.X, Superti-Furga, G, Nagar, B.
Deposit date:2015-12-22
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of mammalian acid sphingomyelinase.
Nat Commun, 7, 2016
8Q4V
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BU of 8q4v by Molmil
Crystal structure of YTHDC1 in complex with Compound 37 (ZA_356)
Descriptor: 2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-cyclopropyl-7,8-dihydropurin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8QEV
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BU of 8qev by Molmil
Crystal structure of ornithine transcarbamylase from Arabidopsis thaliana (AtOTC) in complex with carbamoyl phosphate
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ornithine transcarbamylase, ...
Authors:Nielipinski, M, Pietrzyk-Brzezinska, A, Sekula, B.
Deposit date:2023-09-01
Release date:2023-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural analysis and molecular substrate recognition properties of Arabidopsis thaliana ornithine transcarbamylase, the molecular target of phaseolotoxin produced by Pseudomonas syringae .
Front Plant Sci, 14, 2023
7ZLN
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BU of 7zln by Molmil
Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 11
Descriptor: Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ...
Authors:Ramachandran, S, Ciulli, A, Makukhin, N.
Deposit date:2022-04-15
Release date:2023-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
5FAS
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BU of 5fas by Molmil
OXA-48 in complex with FPI-1523
Descriptor: Beta-lactamase, CADMIUM ION, CHLORIDE ION, ...
Authors:King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D.
Deposit date:2015-12-11
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
8Q4P
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BU of 8q4p by Molmil
Crystal structure of YTHDC1 in complex with Compound 27 (ZA_309)
Descriptor: 2-chloranyl-9-[(3-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
6G56
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BU of 6g56 by Molmil
Apo-structure of the alanine racemase from Staphylococcus aureus
Descriptor: Alanine racemase 1, GLYCEROL, SULFATE ION
Authors:Hoegl, A, Sieber, S.A, Schneider, S.
Deposit date:2018-03-29
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Mining the cellular inventory of pyridoxal phosphate-dependent enzymes with functionalized cofactor mimics.
Nat Chem, 10, 2018
8Q4W
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BU of 8q4w by Molmil
Crystal structure of YTHDC1 in complex with Compound 40 (CS_3a)
Descriptor: 5-chloranyl-3-[(3-chlorophenyl)methyl]-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q4N
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BU of 8q4n by Molmil
Crystal structure of YTHDC1 in complex with Compound 26 (ZA_513)
Descriptor: 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzenecarbonitrile, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8WZV
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BU of 8wzv by Molmil
SFX structure of an Mn-carbonyl complex immobilized in hen egg white lysozyme microcrystals, 1 microsecond after photoexcitation with 40 microJoules laser intensity at RT.
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
Authors:Maity, B, Shoji, M, Luo, F, Nakane, T, Abe, S, Owada, S, Kang, J, Tono, K, Tanaka, R, Thuc, T.T, Kojima, M, Hishikawa, Y, Tanaka, J, Tian, J, Noya, H, Nakasuji, Y, Asanuma, A, Yao, X, Iwata, S, Shigeta, Y, Nango, E, Ueno, T.
Deposit date:2023-11-02
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Real-time observation of a metal complex-driven reaction intermediate using a porous protein crystal and serial femtosecond crystallography.
Nat Commun, 15, 2024
4Z9G
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BU of 4z9g by Molmil
Crystal structure of human corticotropin-releasing factor receptor 1 (CRF1R) in complex with the antagonist CP-376395 in a hexagonal setting with translational non-crystallographic symmetry
Descriptor: 3,6-dimethyl-N-(pentan-3-yl)-2-(2,4,6-trimethylphenoxy)pyridin-4-amine, Corticotropin-releasing factor receptor 1,Lysozyme,Corticotropin-releasing factor receptor 1, OLEIC ACID, ...
Authors:Dore, A.S, Bortolato, A, Hollenstein, K, Cheng, R.K.Y, Read, R.J, Marshall, F.H.
Deposit date:2015-04-10
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.183 Å)
Cite:Decoding Corticotropin-Releasing Factor Receptor Type 1 Crystal Structures.
Curr Mol Pharmacol, 10, 2017
8Q4T
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BU of 8q4t by Molmil
Crystal structure of YTHDC1 in complex with Compound 31 (ZA_400)
Descriptor: SULFATE ION, YTH domain-containing protein 1, ~{N}-[4-chloranyl-2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
5FC1
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BU of 5fc1 by Molmil
Murine SMPDL3A in complex with sulfate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gorelik, A, Illes, K, Superti-Furga, G, Nagar, B.
Deposit date:2015-12-14
Release date:2016-01-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.389 Å)
Cite:Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A.
J.Biol.Chem., 291, 2016
6LKO
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BU of 6lko by Molmil
Turning an asparaginyl endopeptidase into a peptide ligase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Asparaginyl endopeptidase, DI(HYDROXYETHYL)ETHER
Authors:El Sahili, A, Lescar, J.
Deposit date:2019-12-19
Release date:2020-10-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Turning an Asparaginyl Endopeptidase into a Peptide Ligase
Acs Catalysis, 10, 2020

226262

数据于2024-10-16公开中

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