6XGT
 
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6U3Z
 | | Structure of VD20_5A4 Fab | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Dionne, G, Shapiro, L. | | Deposit date: | 2019-08-22 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.99002314 Å) | | Cite: | Extensive dissemination and intraclonal maturation of HIV Env vaccine-induced B cell responses.
J.Exp.Med., 217, 2020
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7UJ4
 | | Inhibition of Human Menin by SNDX-5613 | | Descriptor: | 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide, Isoform 2 of Menin, MAGNESIUM ION | | Authors: | McKeever, B.M, Kulkarni, S, McGeehan, G.M. | | Deposit date: | 2022-03-30 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | MEN1 mutations mediate clinical resistance to menin inhibition.
Nature, 615, 2023
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8GLB
 | | Selenomethionine Derivatized Citrate Synthase (CitA) in Mycobacterium tuberculosis with Pyruvate | | Descriptor: | 1,2-ETHANEDIOL, PYRUVIC ACID, citrate synthase | | Authors: | Pathirage, R, Ronning, D, Favrot, L. | | Deposit date: | 2023-03-21 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
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8GMI
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8GMK
 | | Pyruvate bound structure of Citrate Synthase (CitA) in Mycobacterium Tuberculosis | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PYRUVIC ACID, ... | | Authors: | Pathirage, R, Ronning, D, Yamsek, M. | | Deposit date: | 2023-03-26 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
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8GI7
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8GM9
 | | Structure of Citrate Synthase(CitA) in Mycobacterium Tuberculosis | | Descriptor: | 1,2-ETHANEDIOL, ACRYLIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Pathirage, R, Ronning, D, Favrot, L. | | Deposit date: | 2023-03-24 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
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8GLL
 | | R149E variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | | Authors: | Pathirage, R, Ronning, D, Petit, C. | | Deposit date: | 2023-03-22 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
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8GMF
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8GIW
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8IOI
 | | Crystal Structure of PadR- family transcriptional regulator Rv1176c from Mycobacterium tuberculosis H37Rv. | | Descriptor: | CHLORIDE ION, GLYCEROL, HEXAETHYLENE GLYCOL, ... | | Authors: | Yadav, V, Zohib, M, Pal, R.K, Biswal, B.K, Arora, A. | | Deposit date: | 2023-03-11 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Structural and biophysical characterization of PadR family protein Rv1176c of Mycobacterium tuberculosis H37Rv.
Int.J.Biol.Macromol., 263, 2024
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5J61
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8E90
 | | Inhibition of Human Menin by SNDX-5613 | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide, ... | | Authors: | McKeever, B.M, KULKARNI, S, McGeehan, G.M. | | Deposit date: | 2022-08-26 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | MEN1 mutations mediate clinical resistance to menin inhibition.
Nature, 615, 2023
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6WRP
 | | Crystal Structure of PI3-E12 Fab, An Antibody Against Human Parainfluenza Virus Type III | | Descriptor: | 1,2-ETHANEDIOL, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Weidle, C, Pancera, M. | | Deposit date: | 2020-04-29 | | Release date: | 2021-05-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Protective antibodies against human parainfluenza virus type 3 infection.
Mabs, 13, 2021
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5INJ
 | | Crystal Structure of Prenyltransferase PriB Ternary Complex with L-Tryptophan and Dimethylallyl thiolodiphosphate (DMSPP) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYLALLYL S-THIOLODIPHOSPHATE, Prenyltransferase, ... | | Authors: | Cao, H, Elshahawi, S, Benach, J, Wasserman, S.R, Morisco, L.L, Koss, J.W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2016-03-07 | | Release date: | 2016-05-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure and specificity of a permissive bacterial C-prenyltransferase.
Nat. Chem. Biol., 13, 2017
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2IIV
 | | Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor | | Descriptor: | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Scapin, G, Weber, A.E, Biftu, T. | | Deposit date: | 2006-09-28 | | Release date: | 2006-11-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | (3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem.Lett., 17, 2007
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2IIT
 | | Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor | | Descriptor: | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Scapin, G, Biftu, T, Weber, A.E. | | Deposit date: | 2006-09-28 | | Release date: | 2006-11-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | (3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem.Lett., 17, 2007
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6EF4
 | | Crystal structure of mouse PP2A Aalpha P179R mutant | | Descriptor: | Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform | | Authors: | Wang, Z, Shen, G, Xu, W. | | Deposit date: | 2018-08-16 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | The Highly Recurrent PP2A A alpha-Subunit Mutation P179R Alters Protein Structure and Impairs PP2A Enzyme Function to Promote Endometrial Tumorigenesis.
Cancer Res., 79, 2019
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5K9M
 | | Crystal Structure of PriB Binary Complex with Product Diphosphate | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYROPHOSPHATE 2-, PriB Prenyltransferase | | Authors: | Cao, H, Elshahawi, S, Benach, J, Wasserman, S.R, Morisco, L.L, Koss, J.W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2016-06-01 | | Release date: | 2016-06-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure and specificity of a permissive bacterial C-prenyltransferase.
Nat. Chem. Biol., 13, 2017
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5JXM
 | | Crystal Structure of Prenyltransferase PriB Apo Form | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PriB | | Authors: | Cao, H, Elshahawi, S, Benach, J, Wasserman, S.R, Morisco, L.L, Koss, J.W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2016-05-13 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structure and specificity of a permissive bacterial C-prenyltransferase.
Nat. Chem. Biol., 13, 2017
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8S9D
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8S97
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1IVG
 | | STRUCTURES OF AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, INFLUENZA A SUBTYPE N2 NEURAMINIDASE, ... | | Authors: | Jedrzejas, M.J, Luo, M. | | Deposit date: | 1994-12-12 | | Release date: | 1995-03-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of aromatic inhibitors of influenza virus neuraminidase.
Biochemistry, 34, 1995
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5KVH
 | | Crystal structure of human apoptosis-inducing factor with W196A mutation | | Descriptor: | Apoptosis-inducing factor 1, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Brosey, C.A, Nix, J, Ellenberger, T, Tainer, J.A. | | Deposit date: | 2016-07-14 | | Release date: | 2016-11-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.273 Å) | | Cite: | Defining NADH-Driven Allostery Regulating Apoptosis-Inducing Factor.
Structure, 24, 2016
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