6K7K
 
 | | Cryo-EM structure of the human P4-type flippase ATP8A1-CDC50 (E1-ADP-Pi state) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Hiraizumi, M, Yamashita, K, Nishizawa, T, Nureki, O. | | Deposit date: | 2019-06-07 | | Release date: | 2019-08-28 | | Last modified: | 2021-02-10 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Cryo-EM structures capture the transport cycle of the P4-ATPase flippase.
Science, 365, 2019
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6K7X
 | | Human MCU-EMRE complex | | Descriptor: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, CALCIUM ION, CARDIOLIPIN, ... | | Authors: | Zhuo, W, Zhou, H, Yang, M. | | Deposit date: | 2019-06-10 | | Release date: | 2020-09-09 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Structure of intact human MCU supercomplex with the auxiliary MICU subunits.
Protein Cell, 12, 2021
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6K6U
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3BNZ
 | | Crystal structure of Thymidylate Synthase ternary complex with dUMP and 8A inhibitor | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile, PHOSPHATE ION, ... | | Authors: | Leone, R, Cancian, L, Luciani, R, Ferrari, S, Costi, M.P, Mangani, S. | | Deposit date: | 2007-12-15 | | Release date: | 2008-12-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
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3BOW
 | | Structure of M-calpain in complex with Calpastatin | | Descriptor: | CALCIUM ION, Calpain small subunit 1, Calpain-2 catalytic subunit, ... | | Authors: | Hanna, R.A, Campbell, R.L, Davies, P.L. | | Deposit date: | 2007-12-17 | | Release date: | 2008-11-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Calcium-bound structure of calpain and its mechanism of inhibition by calpastatin.
Nature, 456, 2008
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3BM8
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7M3E
 | | Asymmetric Activation of the Calcium Sensing Receptor Homodimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile, ... | | Authors: | Gao, Y, Robertson, M.J, Zhang, C, Meyerowitz, J.G, Panova, O, Skiniotis, G. | | Deposit date: | 2021-03-18 | | Release date: | 2021-06-30 | | Last modified: | 2021-07-21 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Asymmetric activation of the calcium-sensing receptor homodimer.
Nature, 595, 2021
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6KAF
 | | C2S2M2N2-type PSII-LHCII | | 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,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-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: | Chang, S.H, Shen, L.L, Huang, Z.H, Wang, W.D, Han, G.Y, Shen, J.R, Zhang, X. | | Deposit date: | 2019-06-22 | | Release date: | 2019-10-23 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (3.73 Å) | | Cite: | Structure of a C2S2M2N2-type PSII-LHCII supercomplex from the green algaChlamydomonas reinhardtii.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7MTQ
 | | CryoEM Structure of Full-Length mGlu2 in Inactive-State Bound to Antagonist LY341495 | | Descriptor: | 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2 | | Authors: | Seven, A.B, Barros-Alvarez, X, Skiniotis, G. | | Deposit date: | 2021-05-13 | | Release date: | 2021-07-07 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | G-protein activation by a metabotropic glutamate receptor.
Nature, 595, 2021
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3BPL
 | | Crystal structure of the IL4-IL4R-Common Gamma ternary complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Garcia, K.C. | | Deposit date: | 2007-12-18 | | Release date: | 2008-02-05 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Molecular and Structural Basis of Cytokine Receptor Pleiotropy in the Interleukin-4/13 System.
Cell(Cambridge,Mass.), 132, 2008
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3BV7
 | | Crystal structure of Delta(4)-3-ketosteroid 5-beta-reductase in complex with NADP and glycerol. Resolution: 1.79 A. | | Descriptor: | 3-oxo-5-beta-steroid 4-dehydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Di Costanzo, L, Drury, J, Penning, T.M, Christianson, D.W. | | Deposit date: | 2008-01-04 | | Release date: | 2008-04-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Crystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis.
J.Biol.Chem., 283, 2008
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7MIX
 | | Human N-type voltage-gated calcium channel Cav2.2 in the presence of ziconotide at 3.0 Angstrom resolution | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yan, N, Gao, S, Yao, X. | | Deposit date: | 2021-04-18 | | Release date: | 2021-07-07 | | Last modified: | 2021-08-18 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure of human Ca v 2.2 channel blocked by the painkiller ziconotide.
Nature, 596, 2021
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6CCL
 | | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 1-benzyl-1H-imidazo[4,5-b]pyridine | | Descriptor: | 1-benzyl-1H-imidazo[4,5-b]pyridine, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2018-02-07 | | Release date: | 2018-03-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
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2PMV
 | | Crystal Structure of Human Intrinsic Factor- Cobalamin Complex at 2.6 A Resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COBALAMIN, Gastric intrinsic factor | | Authors: | Mathews, F.S, Gordon, M.M, Chen, Z, Rajashankar, K.R, Ealick, S.E, Alpers, D.H, Sukumar, N. | | Deposit date: | 2007-04-23 | | Release date: | 2007-10-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of human intrinsic factor: Cobalamin complex at 2.6-A resolution
Proc.Natl.Acad.Sci.USA, 104, 2007
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6HK2
 | | Crystal structure of ferric R-state human methemoglobin bound to maleimide-deferoxamine bifunctional chelator (DFO) | | Descriptor: | 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-~{N}-methyl-propanamide, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Cerutti, G, Savino, C, Montemiglio, L.C, Boffi, A. | | Deposit date: | 2018-09-05 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Biodistribution PET/CT Study of Hemoglobin-DFO-89Zr Complex in Healthy and Lung Tumor-Bearing Mice.
Int J Mol Sci, 21, 2020
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3BTK
 | | THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI | | Descriptor: | CALCIUM ION, PROTEIN (PANCREATIC TRYPSIN INHIBITOR), PROTEIN (TRYPSIN), ... | | Authors: | Helland, R, Otlewski, J, Sundheim, O, Dadlez, M, Smalas, A.O. | | Deposit date: | 1999-03-10 | | Release date: | 2000-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The crystal structures of the complexes between bovine beta-trypsin and ten P1 variants of BPTI.
J.Mol.Biol., 287, 1999
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2PSD
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6CIF
 | | Structure of the human endothelial nitric oxide synthase heme domain in complex with N-(1-(Piperidin-4-yl)indolin-5-yl)thiophene-2-carboximidamide | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, ... | | Authors: | Chreifi, G, Li, H, Poulos, T.L. | | Deposit date: | 2018-02-23 | | Release date: | 2018-10-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for Isoform Selective Nitric Oxide Synthase Inhibition by Thiophene-2-carboximidamides.
Biochemistry, 57, 2018
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3BYX
 | | Lactobacillus CASEI Thymidylate Synthase Ternary Complex with DUMP and the Phtalimidic Derivative C00 in Multiple Binding Modes | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase | | Authors: | Leone, R, Mangani, S, Cancian, L, Costi, M.P, Luciani, R, Ferrari, S. | | Deposit date: | 2008-01-16 | | Release date: | 2009-01-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
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3BXO
 | | Crystal Structure of Streptomyces venezuelae DesVI | | Descriptor: | 1,2-ETHANEDIOL, N,N-dimethyltransferase, PHENYL-URIDINE-5'-DIPHOSPHATE, ... | | Authors: | Holden, H.M, Burgie, E.S. | | Deposit date: | 2008-01-14 | | Release date: | 2008-03-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three-Dimensional Structure of DesVI from Streptomyces venezuelae: A Sugar N,N-Dimethyltransferase Required for dTDP-Desosamine Biosynthesis.
Biochemistry, 47, 2008
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3BKL
 | | Testis ACE co-crystal structure with ketone ACE inhibitor kAW | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Watermeyer, J.M, Kroger, W.L, O'Neill, H.G, Sewell, B.T, Sturrock, E.D. | | Deposit date: | 2007-12-07 | | Release date: | 2008-06-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Probing the basis of domain-dependent inhibition using novel ketone inhibitors of Angiotensin-converting enzyme
Biochemistry, 47, 2008
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6CGN
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5UY9
 | | Prolyl isomerase Pin1 R14A mutant bound with Brd4 peptide | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Brd4 peptide, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | | Authors: | Dong, S.-H, Nair, S. | | Deposit date: | 2017-02-23 | | Release date: | 2017-04-26 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Prolyl isomerase PIN1 regulates the stability, transcriptional activity and oncogenic potential of BRD4.
Oncogene, 36, 2017
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2PX4
 | | Crystal structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase domain in complex with SAH (Monoclinic form 2) | | Descriptor: | CHLORIDE ION, GLYCEROL, Genome polyprotein [Contains: Capsid protein C (Core protein); Envelope protein M (Matrix protein); Major envelope protein E; Non-structural protein 1 (NS1); Non-structural protein 2A (NS2A); Flavivirin protease NS2B regulatory subunit; Flavivirin protease NS3 catalytic subunit; Non-structural protein 4A (NS4A); Non-structural protein 4B (NS4B); RNA-directed RNA polymerase (EC 2.7.7.48) (NS5)], ... | | Authors: | Assenberg, R, Ren, J, Verma, A, Walter, T.S, Alderton, D, Hurrelbrink, R.J, Fuller, S.D, Owens, R.J, Stuart, D.I, Grimes, J.M, Oxford Protein Production Facility (OPPF) | | Deposit date: | 2007-05-14 | | Release date: | 2007-05-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the Murray Valley encephalitis virus NS5 methyltransferase domain in complex with cap analogues.
J.Gen.Virol., 88, 2007
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6CHP
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