7KY9
 
 | | Structure of the S. cerevisiae phosphatidylcholine flippase Dnf2-Lem3 complex in the E1-ADP 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, ADENOSINE-5'-DIPHOSPHATE, ... | | 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 (4.05 Å) | | Cite: | Transport mechanism of P4 ATPase phosphatidylcholine flippases.
Elife, 9, 2020
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7BU6
 | | Structure of human beta1 adrenergic receptor bound to norepinephrine and nanobody 6B9 | | Descriptor: | (2S)-2,3-dihydroxypropyl octanoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHOLESTEROL, ... | | Authors: | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | | Deposit date: | 2020-04-04 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR.
Cell Res., 31, 2021
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6SRO
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7L82
 | | x-ray structure of the psychrobacter cryohalolentis Pcryo_0637 N-acetyltransferase in the presene of its reaction tetrahedral intermediate | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Putative acetyl transferase protein, ... | | Authors: | Linehan, M.P, Thoden, J.B, Holden, H.M. | | Deposit date: | 2020-12-30 | | Release date: | 2021-03-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Characterization of two enzymes from Psychrobacter cryohalolentis that are required for the biosynthesis of an unusual diacetamido-d-sugar.
J.Biol.Chem., 296, 2021
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6JBC
 | | Phosphotransferase related to CoA biosynthesis pathway | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Kita, A, Kishimoto, A, Shimosaka, T, Tomita, H, Yokooji, Y, Imanaka, T, Atomi, H, Miki, K. | | Deposit date: | 2019-01-25 | | Release date: | 2020-01-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of pantoate kinase from Thermococcus kodakarensis.
Proteins, 88, 2020
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7KYB
 | | Structure of the S. cerevisiae phosphatidylcholine flippase Dnf1-Lem3 complex in the E1-ADP state | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 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 (3.2 Å) | | Cite: | Transport mechanism of P4 ATPase phosphatidylcholine flippases.
Elife, 9, 2020
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2JIM
 | | A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, MOLYBDENUM ATOM, ... | | Authors: | Najmudin, S, Gonzalez, P.J, Trincao, J, Coelho, C, Mukhopadhyay, A, Romao, C.C, Moura, I, Moura, J.J.G, Brondino, C.D, Romao, M.J. | | Deposit date: | 2007-06-28 | | Release date: | 2008-03-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Periplasmic Nitrate Reductase Revisited: A Sulfur Atom Completes the Sixth Coordination of the Catalytic Molybdenum.
J.Biol.Inorg.Chem., 13, 2008
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2MCO
 | | Structural studies on dinuclear ruthenium(II) complexes that bind diastereoselectively to an anti-parallel folded human telomere sequence | | Descriptor: | SODIUM ION, human telomere quadruplex, tetrakis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~13~,N~14~)diruthenium(4+) L enantiomer | | Authors: | Williamson, M.P, Wilson, T, Thomas, J.A, Felix, V, Costa, P.J. | | Deposit date: | 2013-08-22 | | Release date: | 2013-10-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Studies on Dinuclear Ruthenium(II) Complexes That Bind Diastereoselectively to an Antiparallel Folded Human Telomere Sequence.
J.Med.Chem., 56, 2013
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7BSV
 | | Cryo-EM structure of a human ATP11C-CDC50A flippase in PtdSer-occluded E2-AlF state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ATP11C, CDC50A, ... | | Authors: | Abe, K, Nishizawa, T, Nakanishi, H. | | Deposit date: | 2020-03-31 | | Release date: | 2020-09-30 | | Last modified: | 2020-10-14 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Transport Cycle of Plasma Membrane Flippase ATP11C by Cryo-EM.
Cell Rep, 32, 2020
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5CBT
 | | Human Cyclophilin D Complexed with Inhibitor | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, POTASSIUM ION, ... | | Authors: | Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y. | | Deposit date: | 2015-07-01 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Human Cyclophilin D Complexed with Inhibitor
To Be Published
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6SKD
 | | Crystal Structure of Human Kallikrein 6 (I218Y) in complex with GSK3397892A | | Descriptor: | 4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide, GLYCEROL, Kallikrein-6, ... | | Authors: | Thorpe, J.H. | | Deposit date: | 2019-08-15 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors.
Bioorg.Med.Chem.Lett., 29, 2019
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5FWD
 | | Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 with CP2 | | Descriptor: | 1,2-ETHANEDIOL, 9-(7-{[amino(iminio)methyl]amino}-5,6,7-trideoxy-beta-D-ribo-heptofuranosyl)-9H-purin-6-amine, CALCIUM ION, ... | | Authors: | Cura, V, Troffer-Charlier, N, Marechal, N, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2016-02-12 | | Release date: | 2017-03-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Studies of Protein Arginine Methyltransferase 2 Reveal its Interactions with Potential Substrates and Inhibitors.
FEBS J., 284, 2017
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1P8H
 | | BACTERIORHODOPSIN M1 INTERMEDIATE PRODUCED AT ROOM TEMPERATURE | | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, Bacteriorhodopsin, ... | | Authors: | Lanyi, J.K. | | Deposit date: | 2003-05-07 | | Release date: | 2003-07-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Crystallographic Structures of the M and N Intermediates of Bacteriorhodopsin: Assembly of a Hydrogen-Bonded Chain of Water Molecules between Asp-96 and the Retinal Schiff Base
J.Mol.Biol., 330, 2003
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7BSW
 | | Cryo-EM structure of a human ATP11C-CDC50A flippase in PtdEtn-occluded E2-AlF state | | Descriptor: | 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ATP11C, ... | | Authors: | Abe, K, Nishizawa, T, Nakanishi, H. | | Deposit date: | 2020-03-31 | | Release date: | 2020-09-30 | | Last modified: | 2020-10-14 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Transport Cycle of Plasma Membrane Flippase ATP11C by Cryo-EM.
Cell Rep, 32, 2020
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3ITK
 | | Crystal structure of human UDP-glucose dehydrogenase Thr131Ala, apo form. | | Descriptor: | 1,2-ETHANEDIOL, TETRAETHYLENE GLYCOL, UDP-glucose 6-dehydrogenase | | Authors: | Chaikuad, A, Egger, S, Yue, W.W, Sethi, R, Filippakopoulos, P, Muniz, J.R.C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Kavanagh, K.L, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-08-28 | | Release date: | 2009-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and mechanism of human UDP-glucose 6-dehydrogenase.
J.Biol.Chem., 286, 2011
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5FX5
 | | Novel inhibitors of human rhinovirus 3C protease | | Descriptor: | GLYCEROL, RHINOVIRUS 3C PROTEASE, TETRAETHYLENE GLYCOL, ... | | Authors: | Kawatkar, S, Ek, M, Hoesch, V, Gagnon, M, Nilsson, E, Lister, T, Olsson, L, Patel, J, Yu, Q. | | Deposit date: | 2016-02-24 | | Release date: | 2016-06-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design and Structure-Activity Relationships of Novel Inhibitors of Human Rhinovirus 3C Protease.
Bioorg.Med.Chem.Lett., 26, 2016
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5Y9X
 | | Crystal structure of the Kdo hydroxylase KdoO, a non-heme Fe(II) alphaketoglutarate dependent dioxygenase in complex with alphaketoglutarate and coblat(II) | | Descriptor: | 2-OXOGLUTARIC ACID, ACETATE ION, CHLORIDE ION, ... | | Authors: | Chung, H.S, Pemble, C.W, Joo, S.H, Raetz, C.R. | | Deposit date: | 2017-08-29 | | Release date: | 2018-10-31 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Biochemical and structural insights of Fe(II)/alpha-ketoglutarate/O2-dependent dioxygenase, KdoO from Methylacidiphilum infernorum V4
To Be Published
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5G3X
 | | Structure of recombinant granulovirus polyhedrin | | Descriptor: | GRANULOVIRUS POLYHEDRIN | | Authors: | Bunker, R.D, Chiu, E, Metcalf, P. | | Deposit date: | 2016-05-02 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Atomic structure of granulin determined from native nanocrystalline granulovirus using an X-ray free-electron laser.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7KNF
 | | 1.80A resolution structure of independent Phosphoglycerate mutase from C. elegans in complex with a macrocyclic peptide inhibitor (Ce-1 NHOH) | | Descriptor: | 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, DTY-ASP-TYR-PRO-GLY-ASP-HIS-CYS-TYR-LEU-TYR-GLY-THR, SODIUM ION, ... | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Weidmann, M, Dranchak, P, Aitha, M, Queme, B, Collmus, C.D, Kanter, L, Lamy, L, Tao, D, Rai, G, Suga, H, Inglese, J. | | Deposit date: | 2020-11-04 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-activity relationship of ipglycermide binding to phosphoglycerate mutases.
J.Biol.Chem., 296, 2021
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2MCC
 | | Structural studies on dinuclear ruthenium(II) complexes that bind diastereoselectively to an anti-parallel folded human telomere sequence | | Descriptor: | human_telomere_quadruplex, tetrakis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~13~,N~14~)diruthenium(4+) | | Authors: | Williamson, M.P, Wilson, T, Thomas, J.A, Felix, V, Costa, P.J. | | Deposit date: | 2013-08-18 | | Release date: | 2013-10-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Studies on Dinuclear Ruthenium(II) Complexes That Bind Diastereoselectively to an Antiparallel Folded Human Telomere Sequence.
J.Med.Chem., 56, 2013
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7KGU
 | | Structure of 2Q1-Fab, an antibody selective for IDH2R140Q-HLA-B*07:02 | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Miller, M.S, Aytenfisu, T.Y, Wright, K.M, Gabelli, S.B. | | Deposit date: | 2020-10-18 | | Release date: | 2021-06-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens.
Nat Commun, 12, 2021
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7BEP
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-384 and S309 Fabs | | Descriptor: | CHLORIDE ION, COVOX-384 heavy chain, COVOX-384 light chain, ... | | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2020-12-24 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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1F9D
 | | Crystal structure of the cellulase CEL48F from C. cellulolyticum in complex with cellotetraose | | Descriptor: | CALCIUM ION, ENDO-1,4-BETA-GLUCANASE F, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Parsiegla, G, Reverbel-Leroy, C, Tardif, C, Belaich, J.P, Driguez, H, Haser, R. | | Deposit date: | 2000-07-10 | | Release date: | 2000-08-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of the Cellulase Cel48F in Complex with Inhibitors and Substrates Give Insights Into its Processive Action
Biochemistry, 39, 2000
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6SYU
 | | The wild type glucuronoyl esterase OtCE15A from Opitutus terrae in complex with xylobiose | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Mazurkewich, S, Navarro Poulsen, J.C, Larsbrink, J, Lo Leggio, L. | | Deposit date: | 2019-10-01 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Structural and biochemical studies of the glucuronoyl esteraseOtCE15A illuminate its interaction with lignocellulosic components.
J.Biol.Chem., 294, 2019
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2BHW
 | | PEA LIGHT-HARVESTING COMPLEX II AT 2.5 ANGSTROM RESOLUTION | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'-DIDEHYDRO-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-OCTADECAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Standfuss, J, Terwisscha van Scheltinga, A.C, Lamborghini, M, Kuehlbrandt, W. | | Deposit date: | 2005-01-19 | | Release date: | 2006-05-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanisms of Photoprotection and Nonphotochemical Quenching in Pea Light-Harvesting Complex at 2.5 A Resolution.
Embo J., 24, 2005
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