6ZIC
 
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6ZIB
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6NEJ
 | | scoulerine 9-O-methyltransferase from Thalictrum flavum complexed (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol and with S-ADENOSYL-L-HOMOCYSTEINE | | Descriptor: | (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol, (S)-scoulerine 9-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Valentic, T.R, Smolke, C.D, Payne, J.T. | | Deposit date: | 2018-12-17 | | Release date: | 2019-12-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and functional characterization of the scoulerine 9-O methyltransferase from Thalictrum flavum.
To Be Published
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1AK4
 | | HUMAN CYCLOPHILIN A BOUND TO THE AMINO-TERMINAL DOMAIN OF HIV-1 CAPSID | | Descriptor: | CYCLOPHILIN A, HIV-1 CAPSID | | Authors: | Hill, C.P, Gamble, T.R, Vajdos, F.F, Worthylake, D.K, Sundquist, W.I. | | Deposit date: | 1997-05-28 | | Release date: | 1997-10-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Crystal structure of human cyclophilin A bound to the amino-terminal domain of HIV-1 capsid.
Cell(Cambridge,Mass.), 87, 1996
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1A8O
 | | HIV CAPSID C-TERMINAL DOMAIN | | Descriptor: | HIV CAPSID | | Authors: | Gamble, T.R, Yoo, S, Vajdos, F.F, Von Schwedler, U.K, Worthylake, D.K, Wang, H, Mccutcheon, J.P, Sundquist, W.I, Hill, C.P. | | Deposit date: | 1998-03-27 | | Release date: | 1998-10-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of the carboxyl-terminal dimerization domain of the HIV-1 capsid protein.
Science, 278, 1997
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1AAP
 | | X-RAY CRYSTAL STRUCTURE OF THE PROTEASE INHIBITOR DOMAIN OF ALZHEIMER'S AMYLOID BETA-PROTEIN PRECURSOR | | Descriptor: | ALZHEIMER'S DISEASE AMYLOID A4 PROTEIN | | Authors: | Hynes, T.R, Randal, M, Kennedy, L.A, Eigenbrot, C, Kossiakoff, A.A. | | Deposit date: | 1990-09-14 | | Release date: | 1991-10-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | X-ray crystal structure of the protease inhibitor domain of Alzheimer's amyloid beta-protein precursor.
Biochemistry, 29, 1990
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6OI9
 | | Crystal Structure of E. coli Biotin Carboxylase Complexed with 7-[3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine | | Descriptor: | 1,2-ETHANEDIOL, 7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine, Biotin carboxylase | | Authors: | Andrews, L.D, Kane, T.R, Dozzo, P, Haglund, C.M, Hilderbrandt, D.J, Linsell, M.S, Machajewski, T, McEnroe, G, Serio, A.W, Wlasichuk, K.B, Neau, D.B, Pakhomova, S, Waldrop, G.L, Sharp, M, Pogliano, J, Cirz, R, Cohen, F. | | Deposit date: | 2019-04-09 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Optimization and Mechanistic Characterization of Pyridopyrimidine Inhibitors of Bacterial Biotin Carboxylase.
J.Med.Chem., 62, 2019
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5EKW
 | | A. thaliana IGPD2 in complex with the racemate of the triazole-phosphonate inhibitor, C348 | | 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: | 2015-11-04 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.1 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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6Z5V
 | | CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE-1 (RPMFE1) COMPLEXED WITH 3-KETODECANOYL-COA IN CROTONASE FOLD AND OXIDISED NICOTINAMIDE ADENINE DINUCLEOTIDE IN HAD FOLD | | Descriptor: | 3-KETO-DECANOYL-COA, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Wierenga, R.K, Sridhar, S, Kiema, T.R. | | Deposit date: | 2020-05-27 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystallographic binding studies of rat peroxisomal multifunctional enzyme type 1 with 3-ketodecanoyl-CoA: capturing active and inactive states of its hydratase and dehydrogenase catalytic sites.
Acta Crystallogr D Struct Biol, 76, 2020
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5EL9
 | | A. thaliana IGPD2 in complex with the triazole-phosphonate inhibitor, (S)-C348, to 1.1A resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Imidazoleglycerol-phosphate dehydratase 2, ... | | 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: | 2015-11-04 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.1 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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6Y33
 | | Streptavidin mutant S112R with a biotC5-1 cofactor - an artificial iron hydroxylase | | Descriptor: | GLYCEROL, Streptavidin, biotC5-1 cofactor | | Authors: | Serrano-Plana, J, Rumo, C, Rebelein, J.G, Peterson, R.L, Barnet, M, Ward, T.R. | | Deposit date: | 2020-02-17 | | Release date: | 2020-07-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.49 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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7JME
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4WUX
 | | Crystal Structure of Surfactant Protein-A DED Mutant (E171D/P175E/K203D) Complexed with Mannose | | Descriptor: | CALCIUM ION, Pulmonary surfactant-associated protein A, alpha-D-mannopyranose | | Authors: | Rynkiewicz, M.J, Wu, H, Cafarella, T.R, Nikolaidis, N.M, Head, J.F, Seaton, B.A, McCormack, F.X. | | Deposit date: | 2014-11-03 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Differential ligand binding specificities of the pulmonary collectins are determined by the conformational freedom of a surface loop
To be published
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5FAP
 | | CTX-M-15 in complex with FPI-1602 | | Descriptor: | Beta-lactamase, [[(3~{R},6~{S})-6-[(azetidin-3-ylcarbonylamino)carbamoyl]-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate | | Authors: | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | | Deposit date: | 2015-12-11 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
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7ULK
 | | Human TRAP1 NM in complex with 42C | | Descriptor: | CALCIUM ION, Heat shock protein 75 kDa, mitochondrial, ... | | Authors: | Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M. | | Deposit date: | 2022-04-05 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks.
Protein Sci., 32, 2023
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7UFZ
 | | Crystal structure of TDP1 complexed with compound XZ768 | | Descriptor: | (4-{[(4S)-2-phenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)phosphonic acid, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Wang, W, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | | Deposit date: | 2022-03-23 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.559 Å) | | Cite: | Phosphonic acid-containing inhibitors of tyrosyl-DNA phosphodiesterase 1.
Front Chem, 10, 2022
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7ULJ
 | | Hsp90b N-terminal domain in complex with 42C | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Heat shock protein HSP 90-beta, ... | | Authors: | Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M. | | Deposit date: | 2022-04-05 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks.
Protein Sci., 32, 2023
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7UFY
 | | Crystal structure of TDP1 complexed with compound XZ766 | | Descriptor: | 1,2-ETHANEDIOL, Tyrosyl-DNA phosphodiesterase 1, [(4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)methyl]phosphonic acid | | Authors: | Lountos, G.T, Zhao, X.Z, Wang, W, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | | Deposit date: | 2022-03-23 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.584 Å) | | Cite: | Phosphonic acid-containing inhibitors of tyrosyl-DNA phosphodiesterase 1.
Front Chem, 10, 2022
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7ULL
 | | Human Grp94 N-terminal domain in complex with 42C | | Descriptor: | DIMETHYL SULFOXIDE, Endoplasmin, GLYCEROL, ... | | Authors: | Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M. | | Deposit date: | 2022-04-05 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks.
Protein Sci., 32, 2023
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7USN
 | | Crystal structure of ferritin 1 from Caenorhabditis elegans, FTN-1 | | Descriptor: | FE (III) ION, Ferritin, GLYCEROL, ... | | Authors: | Malcolm, T.R, Maher, M.J, Mubarak, S.S.M. | | Deposit date: | 2022-04-25 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.789 Å) | | Cite: | Biochemical Characterization of Caenorhabditis elegans Ferritins.
Biochemistry, 62, 2023
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7URH
 | | Crystal structure of Ferritin 2 from Caenorhabditis elegans, FTN-2 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, FE (III) ION, Ferritin | | Authors: | Malcolm, T.R, Maher, M.J, Mubarak, S.S.M. | | Deposit date: | 2022-04-22 | | Release date: | 2023-04-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.468 Å) | | Cite: | Biochemical Characterization of Caenorhabditis elegans Ferritins.
Biochemistry, 62, 2023
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1CBW
 | | BOVINE CHYMOTRYPSIN COMPLEXED TO BPTI | | Descriptor: | BOVINE CHYMOTRYPSIN, BPTI, SULFATE ION | | Authors: | Hynes, T.R, Scheidig, A.J, Kossiakoff, A.A. | | Deposit date: | 1996-12-22 | | Release date: | 1997-07-23 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of bovine chymotrypsin and trypsin complexed to the inhibitor domain of Alzheimer's amyloid beta-protein precursor (APPI) and basic pancreatic trypsin inhibitor (BPTI): engineering of inhibitors with altered specificities.
Protein Sci., 6, 1997
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4XOU
 | | Crystal structure of the SR Ca2+-ATPase in the Ca2-E1-MgAMPPCP form determined by serial femtosecond crystallography using an X-ray free-electron laser. | | Descriptor: | CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | | Authors: | Bublitz, M, Nass, K, Drachmann, N.D, Markvardsen, A.J, Gutmann, M.J, Barends, T.R.M, Mattle, D, Shoeman, R.L, Doak, R.B, Boutet, S, Messerschmidt, M, Seibert, M.M, Williams, G.J, Foucar, L, Reinhard, L, Sitsel, O, Gregersen, J.L, Clausen, J.D, Boesen, T, Gotfryd, K, Wang, K.-T, Olesen, C, Moller, J.V, Nissen, P, Schlichting, I. | | Deposit date: | 2015-01-16 | | Release date: | 2015-06-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural studies of P-type ATPase-ligand complexes using an X-ray free-electron laser.
Iucrj, 2, 2015
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4X9V
 | | PLK-1 polo-box domain in complex with Bioactive Imidazolium-containing phosphopeptide macrocycle 3C | | Descriptor: | Phosphopeptide macrocycle 3C, 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 (1.429 Å) | | Cite: | Neighbor-directed histidine N ( tau )-alkylation: A route to imidazolium-containing phosphopeptide macrocycles.
Biopolymers, 104, 2015
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5FTP
 | | sulfur SAD phasing of Cdc23Nterm: data collection with a tailored X- ray beam size at 2.69 A wavelength (4.6 keV) | | Descriptor: | ANAPHASE-PROMOTING COMPLEX SUBUNIT 8 | | Authors: | Cianci, M, Groves, M.R, Barford, D, Schneider, T.R. | | Deposit date: | 2016-01-14 | | Release date: | 2016-03-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Data Collection with a Tailored X-Ray Beam Size at 2.69 A Wavelength (4.6 Kev): Sulfur Sad Phasing of Cdc23Nterm
Acta Crystallogr.,Sect.D, 72, 2016
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