4HDO
 
 | | Crystal structure of the binary Complex of KRIT1 bound to the Rap1 GTPase | | Descriptor: | GLYCEROL, Krev interaction trapped protein 1, MAGNESIUM ION, ... | | Authors: | Gingras, A.R. | | Deposit date: | 2012-10-02 | | Release date: | 2013-07-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | The Structure of the Ternary Complex of Krev Interaction Trapped 1 (KRIT1) Bound to Both the Rap1 GTPase and the Heart of Glass (HEG1) Cytoplasmic Tail.
J.Biol.Chem., 288, 2013
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1GT8
 | | DIHYDROPYRIMIDINE DEHYDROGENASE (DPD) FROM PIG, TERNARY COMPLEX WITH NADPH AND URACIL-4-ACETIC ACID | | Descriptor: | DIHYDROPYRIMIDINE DEHYDROGENASE, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Dobritzsch, D, Ricagno, S, Schneider, G, Schnackerz, K.D, Lindqvist, Y. | | Deposit date: | 2002-01-14 | | Release date: | 2002-04-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structure of the productive ternary complex of dihydropyrimidine dehydrogenase with NADPH and 5-iodouracil. Implications for mechanism of inhibition and electron transfer.
J. Biol. Chem., 277, 2002
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2G8Z
 | | Crystal structure of the ternary complex of signalling protein from sheep (SPS-40) with trimer and designed peptide at 2.5A resolution | | Descriptor: | (TRP)(PRO)(TRP), 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, Chitinase-3-like protein 1, ... | | Authors: | Ethayathulla, A.S, Srivastava, D.B, Kumar, J, Somvanshi, R.K, Sharma, S, Singh, T.P. | | Deposit date: | 2006-03-04 | | Release date: | 2006-04-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the ternary complex of signalling protein from sheep (SPS-40) with trimer and designed peptide at 2.5A resolution
To be Published
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7U1N
 | | Crystal structure of the Anopheles darlingi AD-118 long form D7 salivary protein | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, 2-ETHOXYETHANOL, ... | | Authors: | Alvarenga, P.H, Gittis, A.G, Garboczi, D.N, Andersen, J.F. | | Deposit date: | 2022-02-21 | | Release date: | 2022-05-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Functional aspects of evolution in a cluster of salivary protein genes from mosquitoes.
Insect Biochem.Mol.Biol., 146, 2022
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8CSF
 | | WbbB D232C-Kdo adduct + alpha-Rha(1,3)GlcNAc ternary complex | | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, CYTIDINE-5'-MONOPHOSPHATE, N-acetyl glucosaminyl transferase, ... | | Authors: | Forrester, T.J.B, Kimber, M.S. | | Deposit date: | 2022-05-12 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The retaining beta-Kdo glycosyltransferase WbbB uses a double-displacement mechanism with an intermediate adduct rearrangement step.
Nat Commun, 13, 2022
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8U0N
 | | Crystal structure of isopentenyl phosphate kinase from Thermococcus paralvinellae bound to 2-cyclopentylideneethyl monophosphate and ADP | | Descriptor: | 2-cyclopentylideneethyl dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, Isopentenyl phosphate kinase | | Authors: | Singh, S, Thomas, L.M, Johnson, B.P, Brown, S. | | Deposit date: | 2023-08-29 | | Release date: | 2024-02-21 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Ternary complexes of isopentenyl phosphate kinase from Thermococcus paralvinellae reveal molecular determinants of non-natural substrate specificity.
Proteins, 92, 2024
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8U0L
 | | Crystal structure of isopentenyl phosphate kinase from Thermococcus paralvinellae bound to (E)-But-2-en-1-yl monophosphate and ADP | | Descriptor: | (2E)-but-2-en-1-yl dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, Isopentenyl phosphate kinase | | Authors: | Singh, S, Thomas, L.M, Johnson, B.P, Brown, S. | | Deposit date: | 2023-08-29 | | Release date: | 2024-02-21 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Ternary complexes of isopentenyl phosphate kinase from Thermococcus paralvinellae reveal molecular determinants of non-natural substrate specificity.
Proteins, 92, 2024
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8U0K
 | | Crystal structure of isopentenyl phosphate kinase from Thermococcus paralvinellae bound to DMAP and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Dimethylallyl monophosphate, Isopentenyl phosphate kinase | | Authors: | Singh, S, Thomas, L.M, Johnson, B.P, Brown, S. | | Deposit date: | 2023-08-29 | | Release date: | 2024-02-21 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Ternary complexes of isopentenyl phosphate kinase from Thermococcus paralvinellae reveal molecular determinants of non-natural substrate specificity.
Proteins, 92, 2024
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8U0M
 | | Crystal structure of isopentenyl phosphate kinase from Thermococcus paralvinellae bound to (E)-2-methylbut-2-en-1-yl monophosphate and ATP | | Descriptor: | (2E)-2-methylbut-2-en-1-yl dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Singh, S, Thomas, L.M, Johnson, B.P, Brown, S. | | Deposit date: | 2023-08-29 | | Release date: | 2024-02-21 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Ternary complexes of isopentenyl phosphate kinase from Thermococcus paralvinellae reveal molecular determinants of non-natural substrate specificity.
Proteins, 92, 2024
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1M2W
 | | Pseudomonas fluorescens mannitol 2-dehydrogenase ternary complex with NAD and D-mannitol | | Descriptor: | D-MANNITOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, mannitol dehydrogenase | | Authors: | Kavanagh, K.L, Klimacek, M, Nidetzky, B, Wilson, D.K. | | Deposit date: | 2002-06-25 | | Release date: | 2002-11-15 | | Last modified: | 2011-11-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Pseudomonas fluorescens Mannitol 2-Dehydrogenase Binary and Ternary Complexes. Specificity and Catalytic Mechanism
J.Biol.Chem., 277, 2002
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6D1A
 | | Crystal structure of NDM-1 complexed with compound 1 | | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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6D1C
 | | Crystal structure of NDM-1 complexed with compound 3 | | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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6D1G
 | | Crystal structure of NDM-1 complexed with compound 9 | | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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6D1J
 | | Crystal structure of NDM-1 complexed with compound 13 | | Descriptor: | ACETATE ION, Metallo-beta-lactamase type 2, ZINC ION, ... | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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6D19
 | | Crystal structure of KPC-2 complexed with compound 9 | | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5-bromo-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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6D17
 | | Crystal structure of KPC-2 complexed with compound 3 | | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(6-oxo-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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6D18
 | | Crystal structure of KPC-2 complexed with compound 6 | | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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6DD1
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3ORG
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1GTH
 | | DIHYDROPYRIMIDINE DEHYDROGENASE (DPD) FROM PIG, TERNARY COMPLEX WITH NADPH AND 5-IODOURACIL | | Descriptor: | (5S)-5-IODODIHYDRO-2,4(1H,3H)-PYRIMIDINEDIONE, 5-IODOURACIL, DIHYDROPYRIMIDINE DEHYDROGENASE, ... | | Authors: | Dobritzsch, D, Ricagno, S, Schneider, G, Schnackerz, K.D, Lindqvist, Y. | | Deposit date: | 2002-01-15 | | Release date: | 2002-04-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of the productive ternary complex of dihydropyrimidine dehydrogenase with NADPH and 5-iodouracil. Implications for mechanism of inhibition and electron transfer.
J. Biol. Chem., 277, 2002
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3D80
 | | Structural Analysis of a Holo Enzyme Complex of Mouse Dihydrofolate Reductase with NADPH and a Ternary Complex wtih the Potent and Selective Inhibitor 2,4-Diamino-6-(2'-hydroxydibenz[b,f]azepin-5-yl)methylpteridine | | Descriptor: | (4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol, Dihydrofolate reductase, GLYCEROL, ... | | Authors: | Cody, V. | | Deposit date: | 2008-05-22 | | Release date: | 2008-09-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural analysis of a holoenzyme complex of mouse dihydrofolate reductase with NADPH and a ternary complex with the potent and selective inhibitor 2,4-diamino-6-(2'-hydroxydibenz[b,f]azepin-5-yl)methylpteridine.
Acta Crystallogr.,Sect.D, 64, 2008
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3D84
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8R33
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8R34
 | | CryoEM structure of the symmetric Pho90 dimer from yeast with substrates. | | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, Low-affinity phosphate transporter PHO90, PHOSPHATE ION, ... | | Authors: | Schneider, S, Kuehlbrandt, W, Yildiz, O. | | Deposit date: | 2023-11-08 | | Release date: | 2024-04-24 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.62 Å) | | Cite: | Complementary structures of the yeast phosphate transporter Pho90 provide insights into its transport mechanism.
Structure, 32, 2024
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8R35
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