5BP0
| X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (Ls-AChBP) in complex with 5-Fluoronicotine (TI-4650) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-fluoronicotine, Acetylcholine-binding protein, ... | Authors: | Bobango, J, Sankaran, B, Park, J.F, Wu, J, Talley, T.T. | Deposit date: | 2015-05-27 | Release date: | 2015-06-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Comparisons of Binding Affinities for Neuronal Nicotinic Receptors (NNRs) and AChBPs To Be Published
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5BV6
| PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with cGMP | Descriptor: | ACETATE ION, CALCIUM ION, GUANOSINE-3',5'-MONOPHOSPHATE, ... | Authors: | Campbell, J.C, Reger, A.S, Huang, G.Y, Sankaran, B, Kim, J.J, Kim, C.W. | Deposit date: | 2015-06-04 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural Basis of Cyclic Nucleotide Selectivity in cGMP-dependent Protein Kinase II. J.Biol.Chem., 291, 2016
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5C6C
| PKG II's Amino Terminal Cyclic Nucleotide Binding Domain (CNB-A) in a complex with cAMP | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CADMIUM ION, ... | Authors: | Campbell, J.C, Reger, A.S, Huang, G.Y, Sankaran, B, Kim, J.J, Kim, C.W. | Deposit date: | 2015-06-22 | Release date: | 2016-01-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Basis of Cyclic Nucleotide Selectivity in cGMP-dependent Protein Kinase II. J.Biol.Chem., 291, 2016
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5C67
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5C6X
| Crystal structure of C-As lyase with Co(II) | Descriptor: | COBALT (II) ION, GLYCEROL, Glyoxalase/bleomycin resistance protein/dioxygenase, ... | Authors: | Venkadesh, S, Yoshinaga, M, Sankaran, B, Kandavelu, P, Rosen, B.P. | Deposit date: | 2015-06-23 | Release date: | 2016-07-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of C-As lyase with Co(II) To Be Published
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5CB9
| Crystal structure of C-As lyase with mercaptoethonal | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Glyoxalase/bleomycin resistance protein/dioxygenase, ... | Authors: | Venkadesh, S, Yoshinaga, M, Sankaran, B, Kandavelu, P, Rosen, B.P. | Deposit date: | 2015-06-30 | Release date: | 2016-07-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of C-As lyase with mercaptoethonal To Be Published
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5C8W
| PKG II's Amino Terminal Cyclic Nucleotide Binding Domain (CNB-A) in a complex with cGMP | Descriptor: | CYCLIC GUANOSINE MONOPHOSPHATE, MALONIC ACID, SODIUM ION, ... | Authors: | Campbell, J.C, Reger, A.S, Huang, G.Y, Sankaran, B, Kim, J.J, Kim, C.W. | Deposit date: | 2015-06-26 | Release date: | 2016-01-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis of Cyclic Nucleotide Selectivity in cGMP-dependent Protein Kinase II. J.Biol.Chem., 291, 2016
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6MSQ
| Crystal structure of pRO-2.3 | Descriptor: | pRO-2.3 | Authors: | Boyken, S.E, Sankaran, B, Bick, M.J, Baker, D. | Deposit date: | 2018-10-17 | Release date: | 2019-05-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | De novo design of tunable, pH-driven conformational changes. Science, 364, 2019
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5DRH
| Crystal structure of apo C-As lyase | Descriptor: | Glyoxalase/bleomycin resistance protein/dioxygenase, SODIUM ION | Authors: | Venkadesh, S, Yoshinaga, M, Sankaran, B, Kandavelu, P, Rosen, B.P. | Deposit date: | 2015-09-15 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystal structure of apo C-As lyase To Be Published
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5HCW
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6MSR
| Crystal structure of pRO-2.5 | Descriptor: | pRO-2.5 | Authors: | Bick, M.J, Sankaran, B, Boyken, S.E, Baker, D. | Deposit date: | 2018-10-17 | Release date: | 2019-05-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | De novo design of tunable, pH-driven conformational changes. Science, 364, 2019
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6NTP
| PTP1B Domain of PTP1B-LOV2 Chimera | Descriptor: | MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1,NPH1-1 | Authors: | Hongdusit, A, Sankaran, B, Zwart, P.H, Fox, J.M. | Deposit date: | 2019-01-30 | Release date: | 2020-01-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Minimally disruptive optical control of protein tyrosine phosphatase 1B. Nat Commun, 11, 2020
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5DFG
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5HAQ
| OXa-48 beta-lactamase mutant - S70G | Descriptor: | Beta-lactamase, CADMIUM ION, FORMIC ACID | Authors: | Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2015-12-30 | Release date: | 2016-09-07 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain. Biochemistry, 55, 2016
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5D4F
| Crystal structure of C-As lyase with Fe(III) | Descriptor: | CHLORIDE ION, FE (III) ION, Glyoxalase/bleomycin resistance protein/dioxygenase, ... | Authors: | Venkadesh, S, Yoshinaga, M, Sankaran, B, Kandavelu, P, Rosen, B.P. | Deposit date: | 2015-08-07 | Release date: | 2016-09-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Crystal structure of C-As lyase with mercaptoethonal To Be Published
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5HAI
| P99 beta-lactamase mutant - S64G | Descriptor: | Beta-lactamase, PHOSPHATE ION | Authors: | Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2015-12-30 | Release date: | 2016-09-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain. Biochemistry, 55, 2016
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5HAP
| OXA-48 beta-lactamase - S70A mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Beta-lactamase, ... | Authors: | Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2015-12-30 | Release date: | 2016-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain. Biochemistry, 55, 2016
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7LK8
| Crystal structure of KPC-2 T215P mutant | Descriptor: | Beta-lactamase, SODIUM ION | Authors: | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | Deposit date: | 2021-02-01 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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7LLB
| Crystal structure of KPC-2 S70G/T215P mutant with hydrolyzed meropenem | Descriptor: | (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | Deposit date: | 2021-02-03 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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7LJK
| Crystal structure of the deacylation deficient KPC-2 F72Y mutant | Descriptor: | Beta-lactamase | Authors: | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | Deposit date: | 2021-01-29 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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7LNL
| Crystal structure of KPC-2 S70G/T215P mutant with hydrolyzed imipenem | Descriptor: | (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | Deposit date: | 2021-02-07 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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7LLH
| KPC-2 F72Y mutant with acylated imipenem | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V. | Deposit date: | 2021-02-03 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase. J.Biol.Chem., 296, 2021
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7L99
| Crystal structure of BRDT bromodomain 2 in complex with CDD-1302 | Descriptor: | Bromodomain testis-specific protein, N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500) | Authors: | Sharma, R, Yu, Z, Ku, A.F, Anglin, J.L, Ucisik, M.N, Faver, J.C, Sankaran, B, Kim, C, Matzuk, M.M. | Deposit date: | 2021-01-03 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and characterization of bromodomain 2-specific inhibitors of BRDT. Proc.Natl.Acad.Sci.USA, 118, 2021
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7L9A
| Crystal structure of BRDT bromodomain 2 in complex with CDD-1102 | Descriptor: | BETA-MERCAPTOETHANOL, Bromodomain testis-specific protein, N~1~-(5-{[3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carbonyl]amino}-2-methylphenyl)-N~4~-methylbenzene-1,4-dicarboxamide | Authors: | Sharma, R, Kaur, G, Yu, Z, Ku, A.F, Anglin, J.L, Ucisik, M.N, Faver, J.C, Sankaran, B, Kim, C, Matzuk, M.M. | Deposit date: | 2021-01-03 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Discovery and characterization of bromodomain 2-specific inhibitors of BRDT. Proc.Natl.Acad.Sci.USA, 118, 2021
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6N9D
| Complex of tissue inhibitor of metalloproteinases-1 (TIMP-1) mutant (L34G/L133P/L151C/G154A) with matrix metalloproteinase-3 catalytic domain (MMP-3cd) | Descriptor: | CALCIUM ION, Metalloproteinase inhibitor 1, Stromelysin-1, ... | Authors: | Raeeszadeh-Sarmazdeh, M, Radisky, E.S, Sankaran, B. | Deposit date: | 2018-12-03 | Release date: | 2019-05-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Directed evolution of the metalloproteinase inhibitor TIMP-1 reveals that its N- and C-terminal domains cooperate in matrix metalloproteinase recognition. J.Biol.Chem., 294, 2019
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