7S98
 
 | | Cryogenic Human Hsp90a-NTD bound to N6M | | Descriptor: | Heat shock protein HSP 90-alpha, N-METHYL-9H-PURIN-6-AMINE | | Authors: | Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M. | | Deposit date: | 2021-09-20 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7S8Y
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7S90
 | | Cryogenic Human Hsp90a-NTD bound to adenine | | Descriptor: | ADENINE, Heat shock protein HSP 90-alpha | | Authors: | Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M. | | Deposit date: | 2021-09-20 | | Release date: | 2022-08-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7S99
 | | Room-temperature Human Hsp90a-NTD bound to N6M | | Descriptor: | Heat shock protein HSP 90-alpha, N-METHYL-9H-PURIN-6-AMINE | | Authors: | Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M. | | Deposit date: | 2021-09-20 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
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5EKZ
 | | Crystal structure of mouse Taco1 | | Descriptor: | Translational activator of cytochrome c oxidase 1 | | Authors: | Spahr, H, Richman, T.R, Larsson, N.G, Rackham, O, Filipovska, A. | | Deposit date: | 2015-11-04 | | Release date: | 2016-06-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Loss of the RNA-binding protein TACO1 causes late-onset mitochondrial dysfunction in mice.
Nat Commun, 7, 2016
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5ELW
 | | A. thaliana IGPD2 in complex with the triazole-phosphonate inhibitor, (R)-C348, to 1.36A resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R.C, Hawkes, T.R, Baker, P.J, Rice, D.W. | | Deposit date: | 2015-11-05 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Mirror-Image Packing Provides a Molecular Basis for the Nanomolar Equipotency of Enantiomers of an Experimental Herbicide.
Angew.Chem.Int.Ed.Engl., 55, 2016
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4X9W
 | | PLK-1 polo-box domain in complex with Bioactive Imidazolium-containing phosphopeptide macrocycle 4C | | Descriptor: | Macrocyclic phosphopeptide 4C, Serine/threonine-protein kinase PLK1 | | Authors: | Grant, R.A, Qian, W.-J, Yaffe, M.B, Burke, T.R. | | Deposit date: | 2014-12-11 | | Release date: | 2015-07-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Neighbor-directed histidine N ( tau )-alkylation: A route to imidazolium-containing phosphopeptide macrocycles.
Biopolymers, 104, 2015
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1A50
 | | CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH 5-FLUOROINDOLE PROPANOL PHOSPHATE | | Descriptor: | 5-FLUOROINDOLE PROPANOL PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | | Authors: | Schneider, T.R, Gerhardt, E, Lee, M, Liang, P.-H, Anderson, K.S, Schlichting, I. | | Deposit date: | 1998-02-18 | | Release date: | 1999-03-30 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Loop closure and intersubunit communication in tryptophan synthase.
Biochemistry, 37, 1998
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1A5S
 | | CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH 5-FLUOROINDOLE PROPANOL PHOSPHATE AND L-SER BOUND AS AMINO ACRYLATE TO THE BETA SITE | | Descriptor: | 5-FLUOROINDOLE PROPANOL PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SERINE, ... | | Authors: | Schneider, T.R, Gerhardt, E, Lee, M, Liang, P.-H, Anderson, K.S, Schlichting, I. | | Deposit date: | 1998-02-17 | | Release date: | 1999-03-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Loop closure and intersubunit communication in tryptophan synthase.
Biochemistry, 37, 1998
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1AR2
 | | DISULFIDE-FREE IMMUNOGLOBULIN FRAGMENT | | Descriptor: | REI | | Authors: | Uson, I, Bes, M.T, Sheldrick, G.M, Schneider, T.R, Hartsch, T, Fritz, H.-J. | | Deposit date: | 1997-08-08 | | Release date: | 1997-11-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-ray crystallography reveals stringent conservation of protein fold after removal of the only disulfide bridge from a stabilized immunoglobulin variable domain.
Structure Fold.Des., 2, 1997
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4XRT
 | | Crystal structure of the di-domain ARO/CYC StfQ from the steffimycin biosynthetic pathway | | Descriptor: | FORMIC ACID, StfQ Aromatase/Cyclase | | Authors: | Tsai, S.C, Caldara-Festin, G.M, Jackson, D.R, Aguilar, S, Patel, A, Nguyen, M, Sasaki, E, Valentic, T.R, Barajas, J.F, Vo, M, Khanna, A, Liu, H.-W. | | Deposit date: | 2015-01-21 | | Release date: | 2015-12-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.952 Å) | | Cite: | Structural and functional analysis of two di-domain aromatase/cyclases from type II polyketide synthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
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7KHW
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5F2B
 | | Expanding Nature's Catalytic Repertoire -Directed Evolution of an Artificial Metalloenzyme for In Vivo Metathesis | | Descriptor: | SULFATE ION, Streptavidin, [1-[4-[[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-2,6-dimethyl-phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-2-yl]-bis(chloranyl)ruthenium | | Authors: | Heinisch, T, Jeschek, M, Reuter, R, Trindler, C, Panke, S, Ward, T.R. | | Deposit date: | 2015-12-01 | | Release date: | 2016-08-31 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Directed evolution of artificial metalloenzymes for in vivo metathesis.
Nature, 537, 2016
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7KZ7
 | | Crystals Structure of the Mutated Protease Domain of Botulinum Neurotoxin X (X4130B1). | | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin type X, GLYCEROL, ... | | Authors: | Blum, T.R, Liu, H, Packer, M.S, Xiong, X, Lee, P.G, Zhang, S, Richter, M, Minasov, G, Satchell, K.J.F, Dong, M, Liu, D.R, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-12-10 | | Release date: | 2020-12-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Phage-assisted evolution of botulinum neurotoxin proteases with reprogrammed specificity.
Science, 371, 2021
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7KY7
 | | Structure of the S. cerevisiae phosphatidylcholine flippase Dnf2-Lem3 complex in the apo E1 state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alkylphosphocholine resistance protein LEM3, CHOLESTEROL, ... | | Authors: | Bai, L, You, Q, Jain, B.K, Duan, H.D, Kovach, A, Graham, T.R, Li, H. | | Deposit date: | 2020-12-07 | | Release date: | 2021-01-06 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Transport mechanism of P4 ATPase phosphatidylcholine flippases.
Elife, 9, 2020
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4X9R
 | | PLK-1 polo-box domain in complex with Bioactive Imidazolium-containing phosphopeptide macrocycle 3B | | Descriptor: | Phosphopeptide macrocycle 3B, Serine/threonine-protein kinase PLK1 | | Authors: | Grant, R.A, Qian, W.-J, Yaffe, M.B, Burke, T.R. | | Deposit date: | 2014-12-11 | | Release date: | 2015-07-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.398 Å) | | Cite: | Neighbor-directed histidine N ( tau )-alkylation: A route to imidazolium-containing phosphopeptide macrocycles.
Biopolymers, 104, 2015
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6Y2M
 | | Streptavidin mutant S112R with a biotC4-1 cofactor - an artificial iron hydroxylase | | Descriptor: | Streptavidin, biotC4-1 cofactor | | Authors: | Serrano-Plana, J, Rumo, C, Rebelein, J.G, Peterson, R.L, Barnet, M, Ward, T.R. | | Deposit date: | 2020-02-17 | | Release date: | 2020-07-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Enantioselective Hydroxylation of Benzylic C(sp3)-H Bonds by an Artificial Iron Hydroxylase Based on the Biotin-Streptavidin Technology.
J.Am.Chem.Soc., 142, 2020
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7KY6
 | | Structure of the S. cerevisiae phosphatidylcholine flippase Dnf1-Lem3 complex in the apo E1 state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alkylphosphocholine resistance protein LEM3, ... | | Authors: | Bai, L, You, Q, Jain, B.K, Duan, H.D, Kovach, A, Graham, T.R, Li, H. | | Deposit date: | 2020-12-07 | | Release date: | 2021-01-06 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Transport mechanism of P4 ATPase phosphatidylcholine flippases.
Elife, 9, 2020
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6Y2T
 | | Streptavidin wildtype with a biotC4-1 cofactor - an artificial iron hydroxylase | | Descriptor: | GLYCEROL, Streptavidin, biotC4-1 cofactor | | Authors: | Serrano-Plana, J, Rumo, C, Rebelein, J.G, Peterson, R.L, Barnet, M, Ward, T.R. | | Deposit date: | 2020-02-17 | | Release date: | 2020-07-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Enantioselective Hydroxylation of Benzylic C(sp3)-H Bonds by an Artificial Iron Hydroxylase Based on the Biotin-Streptavidin Technology.
J.Am.Chem.Soc., 142, 2020
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6Y3Q
 | | Streptavidin mutant S112R_K121E with a biotC5-1 cofactor - an artificial iron hydroxylase | | Descriptor: | SULFATE ION, Streptavidin, biotC5-1 cofactor | | Authors: | Serrano-Plana, J, Rumo, C, Rebelein, J.G, Peterson, R.L, Barnet, M, Ward, T.R. | | Deposit date: | 2020-02-18 | | Release date: | 2020-07-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Enantioselective Hydroxylation of Benzylic C(sp3)-H Bonds by an Artificial Iron Hydroxylase Based on the Biotin-Streptavidin Technology.
J.Am.Chem.Soc., 142, 2020
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1BW7
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6MJ5
 | | Crystal structure of Tdp1 catalytic domain in complex with compound XZ519 | | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-8-nitroquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | Deposit date: | 2018-09-20 | | Release date: | 2019-07-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.853 Å) | | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
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7KYA
 | | Structure of the S. cerevisiae phosphatidylcholine flippase Dnf2-Lem3 complex in the E2P state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alkylphosphocholine resistance protein LEM3, ... | | Authors: | Bai, L, You, Q, Jain, B.K, Duan, H.D, Kovach, A, Graham, T.R, Li, H. | | Deposit date: | 2020-12-07 | | Release date: | 2021-01-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Transport mechanism of P4 ATPase phosphatidylcholine flippases.
Elife, 9, 2020
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7KY8
 | | Structure of the S. cerevisiae phosphatidylcholine flippase Dnf2-Lem3 complex in the E1-ATP state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alkylphosphocholine resistance protein LEM3, ... | | Authors: | Bai, L, You, Q, Jain, B.K, Duan, H.D, Kovach, A, Graham, T.R, Li, H. | | Deposit date: | 2020-12-07 | | Release date: | 2021-01-06 | | Method: | ELECTRON MICROSCOPY (3.85 Å) | | Cite: | Transport mechanism of P4 ATPase phosphatidylcholine flippases.
Elife, 9, 2020
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4XRW
 | | Crystal structure of the di-domain ARO/CYC BexL from the BE-7585A biosynthetic pathway | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BexL | | Authors: | Tsai, S.C, Caldara-Festin, G.M, Jackson, D.R, Aguilar, S, Patel, A, Nguyen, M, Sasaki, E, Valentic, T.R, Barajas, J.F, Vo, M, Khanna, A, Liu, H.-W. | | Deposit date: | 2015-01-21 | | Release date: | 2015-12-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural and functional analysis of two di-domain aromatase/cyclases from type II polyketide synthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
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