8PP9
 
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with scyllo-inositol 1,2,3,5-tetrakisphosphate/ADP/Mn | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... | | Authors: | Marquez-Monino, M.A, Gonzalez, B. | | Deposit date: | 2023-07-07 | | Release date: | 2024-02-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
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8PPG
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosyl 1,3,4,6-tetrakisphosphate/ADP/Mn after reaction | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... | | Authors: | Marquez-Monino, M.A, Gonzalez, B. | | Deposit date: | 2023-07-07 | | Release date: | 2024-02-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
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8PPA
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with D-myo-inositol 1,4,6-trisphosphate/AMP-PNP/Mn | | Descriptor: | D-myo-inositol 1,4,6-trisphosphate, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... | | Authors: | Marquez-Monino, M.A, Gonzalez, B. | | Deposit date: | 2023-07-07 | | Release date: | 2024-02-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
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8PPE
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with DL-6-deoxy-6-phosphoryloxymethyl-scyllo-inositol 1,2,4-trisphosphate/ADP/Mn | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DL-6-deoxy-6-phosphoryloxymethyl-scyllo-inositol 1,2,4-trisphosphate, GLYCEROL, ... | | Authors: | Marquez-Monino, M.A, Gonzalez, B. | | Deposit date: | 2023-07-07 | | Release date: | 2024-02-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
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8PPB
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with D-3-deoxy-myo-inositol 1,4,6-trisphosphate/ATP/Mn | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, D-3-deoxy-myo-inositol 1,4,6-trisphosphate, Inositol-trisphosphate 3-kinase A, ... | | Authors: | Marquez-Monino, M.A, Gonzalez, B. | | Deposit date: | 2023-07-07 | | Release date: | 2024-02-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
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8PP8
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with L-scyllo-inositol 1,2,4-trisphosphate/AMP-PNP/Mn | | Descriptor: | Inositol-trisphosphate 3-kinase A, L-scyllo-inositol 1,2,4-trisphosphate, MANGANESE (II) ION, ... | | Authors: | Marquez-Monino, M.A, Gonzalez, B. | | Deposit date: | 2023-07-07 | | Release date: | 2024-02-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
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8PPC
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with L-chiro-inositol 2,3,5-trisphosphate/ATP/Mn | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Inositol-trisphosphate 3-kinase A, L-chiro-inositol 2,3,5-trisphosphate, ... | | Authors: | Marquez-Monino, M.A, Gonzalez, B. | | Deposit date: | 2023-07-07 | | Release date: | 2024-02-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
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8PPF
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosyl 1,3,4-trisphosphate/AMP-PNP/Mg | | Descriptor: | Inositol-trisphosphate 3-kinase A, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ... | | Authors: | Marquez-Monino, M.A, Gonzalez, B. | | Deposit date: | 2023-07-07 | | Release date: | 2024-02-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
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8PPJ
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosylmethanol 3,4,6,1'-tetrakisphosphate/ADP/Mn after reaction | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... | | Authors: | Marquez-Monino, M.A, Gonzalez, B. | | Deposit date: | 2023-07-07 | | Release date: | 2024-02-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
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8PPD
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with DL-6-deoxy-6-hydroxy-methyl-scyllo-inositol 1,2,4-trisphosphate/ATP/Mn | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DL-6-deoxy-6-hydroxy-methyl-scyllo-inositol 1,2,4-trisphosphate, Inositol-trisphosphate 3-kinase A, ... | | Authors: | Marquez-Monino, M.A, Gonzalez, B. | | Deposit date: | 2023-07-07 | | Release date: | 2024-02-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
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8PPI
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosylmethanol 3,4,1'-trisphosphate/ATP/Mn | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... | | Authors: | Marquez-Monino, M.A, Gonzalez, B. | | Deposit date: | 2023-07-07 | | Release date: | 2024-02-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
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8PPH
 | | Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with alpha-D-glucopyranosyl 1,3,4-trisphosphate/ATP/Mn | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Inositol-trisphosphate 3-kinase A, MANGANESE (II) ION, ... | | Authors: | Marquez-Monino, M.A, Gonzalez, B. | | Deposit date: | 2023-07-07 | | Release date: | 2024-02-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity.
Nat Commun, 15, 2024
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1RHQ
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3R32
 | | Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant E73A complexed with 4-hydroxyphenacyl CoA | | Descriptor: | 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase | | Authors: | Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D. | | Deposit date: | 2011-03-15 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
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3R3A
 | | Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant Q58A complexed with 4-hydroxybenzoic acid and CoA | | Descriptor: | 4-hydroxybenzoyl-CoA thioesterase, COENZYME A, P-HYDROXYBENZOIC ACID | | Authors: | Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D. | | Deposit date: | 2011-03-15 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
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1V3M
 | | Crystal structure of F283Y mutant cyclodextrin glycosyltransferase complexed with a pseudo-tetraose derived from acarbose | | Descriptor: | 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-beta-D-galactopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, CALCIUM ION, ... | | Authors: | Kanai, R, Haga, K, Akiba, T, Yamane, K, Harata, K. | | Deposit date: | 2003-11-03 | | Release date: | 2004-08-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Role of Phe283 in enzymatic reaction of cyclodextrin glycosyltransferase from alkalophilic Bacillus sp.1011: Substrate binding and arrangement of the catalytic site
PROTEIN SCI., 13, 2004
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3OO9
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1V3K
 | | Crystal structure of F283Y mutant cyclodextrin glycosyltransferase | | Descriptor: | CALCIUM ION, Cyclomaltodextrin glucanotransferase | | Authors: | Kanai, R, Haga, K, Akiba, T, Yamane, K, Harata, K. | | Deposit date: | 2003-11-03 | | Release date: | 2004-08-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Role of Phe283 in enzymatic reaction of cyclodextrin glycosyltransferase from alkalophilic Bacillus sp.1011: substrate binding and arrangement of the catalytic site
PROTEIN SCI., 13, 2004
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3POJ
 | | Crystal structure of MASP-1 CUB2 domain bound to Ethylamine | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ETHANAMINE, ... | | Authors: | Gingras, A.R, Moody, P.C.E, Wallis, R. | | Deposit date: | 2010-11-22 | | Release date: | 2011-08-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.451 Å) | | Cite: | Structural Basis of Mannan-Binding Lectin Recognition by Its Associated Serine Protease MASP-1: Implications for Complement Activation.
Structure, 19, 2011
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2Z2M
 | | Cefditoren-Acylated Penicillin-Binding Protein 2X (PBP2X) from Streptococcus pneumoniae | | Descriptor: | (2R)-2-[(1R)-1-{[(2Z)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ACETYL]AMINO}-2-OXOETHYL]-5-[(Z)-2-(4-METHYL-1,3-THIAZOL-5-YL)VINYL]-3,6-DIHYDRO-2H-1,3-THIAZINE-4-CARBOXYLIC ACID, Penicillin-binding protein 2X, SULFATE ION | | Authors: | Yamada, M, Watanabe, T, Takeuchi, Y. | | Deposit date: | 2007-05-23 | | Release date: | 2007-09-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of Cefditoren Complexed with Streptococcus pneumoniae Penicillin-Binding Protein 2X: Structural Basis for its High Antimicrobial Activity
Antimicrob.Agents Chemother., 51, 2007
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1GQI
 | | Structure of Pseudomonas cellulosa alpha-D-glucuronidase | | Descriptor: | 1,2-ETHANEDIOL, ALPHA-GLUCURONIDASE, COBALT (II) ION, ... | | Authors: | Nurizzo, D, Nagy, T, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2001-11-26 | | Release date: | 2002-09-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | The Structural Basis for Catalysis and Specificity of the Pseudomonas Cellulosa Alpha-Glucuronidase, Glca67A
Structure, 10, 2002
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6O47
 | | human cGAS core domain (K427E/K428E) bound with RU-521 | | Descriptor: | (3~{S})-3-[1-[4,5-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-3-methyl-5-oxidanyl-pyrazol-4-yl]-3~{H}-2-benzofuran-1-one, 2-(4,5-dichloro-1H-benzimidazol-2-yl)-5-methyl-4-[(1R)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-1,2-dihydro-3H-pyrazol-3-one, CITRIC ACID, ... | | Authors: | Xie, W, Lama, L, Adura, C, Glickman, J.F, Tuschl, T, Patel, D.J. | | Deposit date: | 2019-02-28 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.196 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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3AB6
 | | Crystal structure of NAG3 bound lysozyme from Meretrix lusoria | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysozyme | | Authors: | Yoneda, K, Kuwano, Y, Araki, T. | | Deposit date: | 2009-12-01 | | Release date: | 2010-12-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | The tertiary structure of an i-type lysozyme isolated from the common orient clam (Meretrix lusoria)
Acta Crystallogr.,Sect.F, 69, 2013
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1GQK
 | | Structure of Pseudomonas cellulosa alpha-D-glucuronidase complexed with glucuronic acid | | Descriptor: | 1,2-ETHANEDIOL, ALPHA-D-GLUCURONIDASE, COBALT (II) ION, ... | | Authors: | Nurizzo, D, Nagy, T, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2001-11-26 | | Release date: | 2002-09-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Structural Basis for Catalysis and Specificity of the Pseudomonas Cellulosa Alpha-Glucuronidase, Glca67A
Structure, 10, 2002
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3R3C
 | | Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant H64A complexed with 4-hydroxyphenacyl CoA | | Descriptor: | 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase | | Authors: | Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D. | | Deposit date: | 2011-03-15 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
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