6XPS
 
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6XUH
 | | Crystal structure of human phosphoglucose isomerase in complex with inhibitor | | Descriptor: | (2R,3R,4S)-5-((2-aminoethyl)amino)-2,3,4-trihydroxy-5-oxopentyl dihydrogen phosphate, 5-PHOSPHOARABINONIC ACID, Glucose-6-phosphate isomerase | | Authors: | Li de la Sierra-Gallay, I, Ahmad, L, Plancqueel, S, van Tilbeurgh, H, Salmon, L. | | Deposit date: | 2020-01-20 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Novel N-substituted 5-phosphate-d-arabinonamide derivatives as strong inhibitors of phosphoglucose isomerases: Synthesis, structure-activity relationship and crystallographic studies.
Bioorg.Chem., 102, 2020
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6XPW
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6XXO
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6XXP
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6XPV
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6XUI
 | | Crystal structure of human phosphoglucose isomerase in complex with inhibitor | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 5-PHOSPHOARABINONIC ACID, GLYCEROL, ... | | Authors: | Li de la Sierra-Gallay, I, Ahmad, L, Plancqueel, S, van Tilbeurgh, H, Salmon, L. | | Deposit date: | 2020-01-20 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Novel N-substituted 5-phosphate-d-arabinonamide derivatives as strong inhibitors of phosphoglucose isomerases: Synthesis, structure-activity relationship and crystallographic studies.
Bioorg.Chem., 102, 2020
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8IA7
 | | Structural insights into human brain gut peptide cholecystokinin receptors | | Descriptor: | CCK-8, Gastrin/cholecystokinin type B receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Ding, Y, Zhang, H, Liao, Y, Chen, L, Ji, S. | | Deposit date: | 2023-02-08 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into human brain-gut peptide cholecystokinin receptors.
Cell Discov, 8, 2022
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5HNT
 | | Crystal Structure of AKR1C3 complexed with CAPE | | Descriptor: | 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Li, C, Zhao, Y, Zhang, H, Hu, X. | | Deposit date: | 2016-01-18 | | Release date: | 2017-03-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of AKR1C3 complexed with octyl gallate
To Be Published
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5HNU
 | | Crystal Structure of AKR1C3 complexed with octyl gallate | | Descriptor: | Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, octyl 3,4,5-trihydroxybenzoate | | Authors: | Li, C, Zhao, Y, Zhang, H, Hu, X. | | Deposit date: | 2016-01-18 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of AKR1C3 complexed with octyl gallte
To Be Published
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6EIN
 | | Crystal structure of KDM5B in complex with S49365a. | | Descriptor: | 1,2-ETHANEDIOL, 8-[4-[2-(4-propanoylpiperazin-1-yl)ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ... | | Authors: | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | | Deposit date: | 2017-09-19 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal structure of KDM5B in complex with S49365a.
To Be Published
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1WAK
 | | X-ray structure of SRPK1 | | Descriptor: | 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE SPRK1 | | Authors: | Ngo, J.C, Gullingsrud, J, Chakrabarti, S, Nolen, B, Aubol, B.E, Fu, X.D, Adams, J.A, Mccammon, J.A, Ghosh, G. | | Deposit date: | 2004-10-26 | | Release date: | 2006-07-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Sr Protein Kinase 1 is Resilient to Inactivation.
Structure, 15, 2007
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1W72
 | | Crystal structure of HLA-A1:MAGE-A1 in complex with Fab-Hyb3 | | Descriptor: | BETA-2-MICROGLOBULIN, GLYCEROL, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | | Authors: | Hulsmeyer, M, Chames, P, Hillig, R.C, Stanfield, R.L, Held, G, Coulie, P.G, Alings, C, Wille, G, Saenger, W, Uchanska-Ziegler, B, Hoogenboom, H.R, Ziegler, A. | | Deposit date: | 2004-08-27 | | Release date: | 2004-11-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A Major Histocompatibility Complex.Peptide- Restricted Antibody and T Cell Receptor Molecules Recognize Their Target by Distinct Binding Modes: Crystal Structure of Human Leukocyte Antigen (Hla)-A1.Mage-A1 in Complex with Fab-Hyb3
J.Biol.Chem., 280, 2005
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6EDB
 | | Crystal structure of SRY.hcGAS-21bp dsDNA complex | | Descriptor: | DNA (5'-D(*CP*GP*AP*TP*CP*CP*GP*GP*GP*AP*TP*CP*TP*AP*AP*AP*CP*AP*AP*TP*G)-3'), DNA (5'-D(*GP*CP*AP*TP*TP*GP*TP*TP*TP*AP*GP*AP*TP*CP*CP*CP*GP*GP*AP*TP*C)-3'), Sex-determining region Y protein,Cyclic GMP-AMP synthase, ... | | Authors: | Xie, W, Lama, L, Adura, C, Glickman, J.F, Tuschl, T, Patel, D.J. | | Deposit date: | 2018-08-09 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.209 Å) | | Cite: | Human cGAS catalytic domain has an additional DNA-binding interface that enhances enzymatic activity and liquid-phase condensation.
Proc.Natl.Acad.Sci.USA, 116, 2019
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1W0G
 | | Crystal structure of human cytochrome P450 3A4 | | Descriptor: | CYTOCHROME P450 3A4, METYRAPONE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Williams, P.A, Cosme, J, Vinkovic, D.M, Ward, A, Angove, H.C, Day, P.J, Vonrhein, C, Tickle, I.J, Jhoti, H. | | Deposit date: | 2004-06-03 | | Release date: | 2004-07-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone
Science, 305, 2004
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1W69
 | | Crystal Structure of Mouse Ribonucleotide Reductase Subunit R2 under Reducing Conditions. A Fully Occupied Dinuclear Iron Cluster and Bound Acetate. | | Descriptor: | ACETIC ACID, FE (II) ION, RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE M2 CHAIN | | Authors: | Karlsen, S, Strand, K.R, Kolberg, M, Rohr, A.K, Gorbitz, C.H, Andersson, K.K. | | Deposit date: | 2004-08-16 | | Release date: | 2004-08-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structural Studies of Changes in the Native Dinuclear Iron Center of Ribonucleotide Reductase Protein R2 from Mouse
J.Biol.Chem., 279, 2004
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1W0F
 | | Crystal structure of human cytochrome P450 3A4 | | Descriptor: | CYTOCHROME P450 3A4, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Williams, P.A, Cosme, J, Vinkovic, D.M, Ward, A, Angove, H.C, Day, P.J, Vonrhein, C, Tickle, I.J, Jhoti, H. | | Deposit date: | 2004-06-03 | | Release date: | 2004-07-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone
Science, 305, 2004
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1W0W
 | | Crystal Structure Of HLA-B*2709 Complexed With the self-Peptide TIS from EGF-response factor 1 | | Descriptor: | BETA-2-MICROGLOBULIN, BUTYRATE RESPONSE FACTOR 2, GLYCEROL, ... | | Authors: | Hulsmeyer, M, Fiorillo, M.T, Bettosini, F, Sorrentino, R, Saenger, W, Ziegler, A, Uchanska-Ziegler, B. | | Deposit date: | 2004-06-14 | | Release date: | 2005-03-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Thermodynamic and Structural Equivalence of Two Hla-B27 Subtypes Complexed with a Self-Peptide
J.Mol.Biol., 346, 2005
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6EIY
 | | Crystal structure of KDM5B in complex with KDOPZ000034a. | | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-~{N}-[2-[4-(3-cyano-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]ethanamide, DIMETHYL SULFOXIDE, ... | | Authors: | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | | Deposit date: | 2017-09-19 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of KDM5B in complex with KDOPZ000034a.
to be published
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6EJ0
 | | Crystal structure of KDM5B in complex with KDOPZ000049a. | | Descriptor: | 1,2-ETHANEDIOL, 7-oxidanylidene-6-propan-2-yl-5-[1-(1-prop-2-enoylpiperidin-4-yl)pyrazol-4-yl]-6~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, DIMETHYL SULFOXIDE, ... | | Authors: | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | | Deposit date: | 2017-09-19 | | Release date: | 2018-05-02 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Crystal structure of KDM5B in complex with KDOPZ000049a.
to be published
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6B0R
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1W7B
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1WF5
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6EIU
 | | Crystal structure of KDM5B in complex with KDOPZ29a | | Descriptor: | 1,2-ETHANEDIOL, 8-oxidanyl-6-phenyl-7-propan-2-yl-imidazo[1,2-b]pyridazine-3-carbonitrile, DIMETHYL SULFOXIDE, ... | | Authors: | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | | Deposit date: | 2017-09-19 | | Release date: | 2018-05-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal structure of KDM5B in complex with KDOPZ29a.
to be published
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6EQS
 | | Human Sirt5 in complex with stalled peptidylimidate intermediate of inhibitory compound 29 | | Descriptor: | 1,2-ETHANEDIOL, 1,3-BUTANEDIOL, 3-[[(~{Z})-~{C}-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{N}-[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid, ... | | Authors: | Pannek, M, Steegborn, C. | | Deposit date: | 2017-10-15 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight.
Angew. Chem. Int. Ed. Engl., 56, 2017
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