6XMQ
 
 | | Structure of P5A-ATPase Spf1, AMP-PCP-bound form | | Descriptor: | MAGNESIUM ION, P5A-type ATPase, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | Authors: | Park, E, Sim, S.I. | | Deposit date: | 2020-06-30 | | Release date: | 2020-09-23 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | The endoplasmic reticulum P5A-ATPase is a transmembrane helix dislocase.
Science, 369, 2020
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4KO0
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH an anilinylpyrimidine derivative (JLJ-135) | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-methoxypyrimidin-2-yl)amino]-2-[(3-methylbut-2-en-1-yl)oxy]benzonitrile, HIV-1 reverse transcriptase, ... | | Authors: | Das, K, Bauman, J.D, Arnold, E. | | Deposit date: | 2013-05-10 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Extension into the entrance channel of HIV-1 reverse transcriptase-Crystallography and enhanced solubility.
Bioorg.Med.Chem.Lett., 23, 2013
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7JT1
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7JU4
 | | Radial spoke 2 stalk, IDAc, and N-DRC attached with doublet microtubule | | Descriptor: | 28 kDa inner dynein arm light chain, axonemal, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Gui, M, Ma, M, Sze-Tu, E, Wang, X, Koh, F, Zhong, E, Berger, B, Davis, J, Dutcher, S, Zhang, R, Brown, A. | | Deposit date: | 2020-08-19 | | Release date: | 2020-12-16 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structures of radial spokes and associated complexes important for ciliary motility.
Nat.Struct.Mol.Biol., 28, 2021
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3GYY
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3GY0
 | | Crystal structure of putatitve short chain dehydrogenase FROM SHIGELLA FLEXNERI 2A STR. 301 complexed with NADP | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, dehydrogenase | | Authors: | Malashkevich, V.N, Toro, R, Morano, C, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-04-03 | | Release date: | 2009-04-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of putatitve short chain dehydrogenase
FROM SHIGELLA FLEXNERI 2A STR. 301 complexed with NADP
To be Published
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6XTA
 | | Recombinant human butyrylcholinesterase in complex with (2S)-N-[2-(1-benzylazepan-4-yl)ethyl]-2-(butylamino)-3-(1H-indol-3-yl)propanamide | | Descriptor: | (2~{S})-2-(butylamino)-3-(1~{H}-indol-3-yl)-~{N}-[2-[(4~{R})-1-(phenylmethyl)azepan-4-yl]ethyl]propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Brazzolotto, X, Nachon, F, Meden, A, Knez, D, Gobec, S. | | Deposit date: | 2020-01-15 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-activity relationship study of tryptophan-based butyrylcholinesterase inhibitors.
Eur.J.Med.Chem., 208, 2020
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6ME6
 | | XFEL crystal structure of human melatonin receptor MT2 in complex with 2-phenylmelatonin | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, ... | | Authors: | Johansson, L.C, Stauch, B, McCorvy, J, Han, G.W, Patel, N, Batyuk, A, Gati, C, Li, C, Grandner, J, Hao, S, Olsen, R.H.J, Tribo, A.R, Zaare, S, Zhu, L, Zatsepin, N.A, Weierstall, U, Liu, W, Roth, B.L, Katritch, V, Cherezov, V. | | Deposit date: | 2018-09-05 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity.
Nature, 569, 2019
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4FVA
 | | Crystal structure of truncated Caenorhabditis elegans TDP2 | | Descriptor: | 1,2-ETHANEDIOL, 5'-tyrosyl-DNA phosphodiesterase, MAGNESIUM ION, ... | | Authors: | Shi, K, Kurahashi, K, Aihara, H. | | Deposit date: | 2012-06-29 | | Release date: | 2012-10-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structural basis for recognition of 5'-phosphotyrosine adducts by Tdp2.
Nat.Struct.Mol.Biol., 19, 2012
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7A3H
 | | NATIVE ENDOGLUCANASE CEL5A CATALYTIC CORE DOMAIN AT 0.95 ANGSTROMS RESOLUTION | | Descriptor: | ENDOGLUCANASE, ETHANOL, GLYCEROL | | Authors: | Davies, G.J, Varrot, A, Dauter, M, Brzozowski, A.M, Schulein, M, Mackenzie, L, Withers, S.G. | | Deposit date: | 1998-08-05 | | Release date: | 1999-08-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Snapshots along an enzymatic reaction coordinate: analysis of a retaining beta-glycoside hydrolase.
Biochemistry, 37, 1998
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6ME5
 | | XFEL crystal structure of human melatonin receptor MT1 in complex with agomelatine | | Descriptor: | OLEIC ACID, chimera protein of Melatonin receptor type 1A and GlgA glycogen synthase, ~{N}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide | | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | | Deposit date: | 2018-09-05 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
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7AII
 | | HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-METHIONINE TENOFOVIR WITH BOUND MANGANESE | | Descriptor: | DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), Gag-Pol polyprotein, ... | | Authors: | Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K. | | Deposit date: | 2020-09-27 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
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7AK6
 | | Cryo-EM structure of ND6-P25L mutant respiratory complex I from Mus musculus at 3.8 A | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Yin, Z, Bridges, H.R, Grba, D, Hirst, J. | | Deposit date: | 2020-09-29 | | Release date: | 2021-02-03 | | Last modified: | 2021-02-10 | | Method: | ELECTRON MICROSCOPY (3.82 Å) | | Cite: | Structural basis for a complex I mutation that blocks pathological ROS production.
Nat Commun, 12, 2021
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6MG8
 | | Structural basis for cholesterol transport-like activity of the Hedgehog receptor Patched | | Descriptor: | CHOLESTEROL, Protein patched homolog 1 | | Authors: | Zhang, Y, Bulkley, D, Xin, Y, Roberts, K.J, Asarnow, D.E, Sharma, A, Myers, B.R, Cho, W, Cheng, Y, Beachy, P.A. | | Deposit date: | 2018-09-13 | | Release date: | 2018-11-28 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural Basis for Cholesterol Transport-like Activity of the Hedgehog Receptor Patched.
Cell, 175, 2018
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3H1L
 | | Chicken cytochrome BC1 complex with ascochlorin bound at QO and QI sites | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 3-chloro-4,6-dihydroxy-2-methyl-5-{(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl}benzaldehyde, CARDIOLIPIN, ... | | Authors: | Berry, E.A, Huang, L.S, Minagawa, N. | | Deposit date: | 2009-04-12 | | Release date: | 2010-01-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | Ascochlorin is a novel, specific inhibitor of the mitochondrial cytochrome bc(1) complex.
Biochim.Biophys.Acta, 1797, 2010
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6ME8
 | | XFEL crystal structure of human melatonin receptor MT2 (N86D) in complex with 2-phenylmelatonin | | Descriptor: | N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, ZINC ION | | Authors: | Johansson, L.C, Stauch, B, McCorvy, J, Han, G.W, Patel, N, Batyuk, A, Gati, C, Li, C, Grandner, J, Hao, S, Olsen, R.H.J, Tribo, A.R, Zaare, S, Zhu, L, Zatsepin, N.A, Weierstall, U, Liu, W, Roth, B.L, Katritch, V, Cherezov, V. | | Deposit date: | 2018-09-05 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity.
Nature, 569, 2019
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4GAA
 | | Structure of Leukotriene A4 hydrolase from Xenopus laevis complexed with inhibitor bestatin | | Descriptor: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, MGC78867 protein, ZINC ION | | Authors: | Stsiapanava, A, Kumar, R.B, Haeggstrom, J.Z, Rinaldo-Matthis, A. | | Deposit date: | 2012-07-25 | | Release date: | 2013-06-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Product formation controlled by substrate dynamics in leukotriene A4 hydrolase.
Biochim.Biophys.Acta, 1844, 2014
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6MF8
 | | TCR alpha transmembrane domain | | Descriptor: | T-cell receptor alpha chain C region | | Authors: | Brazin, K.N, Reinherz, E.L. | | Deposit date: | 2018-09-10 | | Release date: | 2018-12-12 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The T Cell Antigen Receptor alpha Transmembrane Domain Coordinates Triggering through Regulation of Bilayer Immersion and CD3 Subunit Associations.
Immunity, 49, 2018
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7AON
 | | Crystal structure of CI2 double mutant L49I,I57V | | Descriptor: | GLYCEROL, SULFATE ION, Subtilisin-chymotrypsin inhibitor-2A | | Authors: | Olsen, J.G, Teilum, K, Hamborg, L, Roche, J.V. | | Deposit date: | 2020-10-14 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Synergistic stabilization of a double mutant in chymotrypsin inhibitor 2 from a library screen in E. coli.
Commun Biol, 4, 2021
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7AHX
 | | HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND D-ASPARTATE TENOFOVIR WITH BOUND MANGANESE | | Descriptor: | D-Aspartate Tenofovir, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(*TP*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ... | | Authors: | Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K. | | Deposit date: | 2020-09-25 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
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7AJJ
 | | bovine ATP synthase dimer state3:state3 | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ... | | Authors: | Spikes, T.E, Montgomery, M.G, Walker, J.E. | | Deposit date: | 2020-09-29 | | Release date: | 2021-02-03 | | Last modified: | 2021-02-24 | | Method: | ELECTRON MICROSCOPY (13.1 Å) | | Cite: | Interface mobility between monomers in dimeric bovine ATP synthase participates in the ultrastructure of inner mitochondrial membranes.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6XSV
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6XIW
 | | Cryo-EM structure of the sodium leak channel NALCN-FAM155A complex | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kschonsak, M, Chua, H.C, Noland, C.L, Weidling, C, Clairfeuille, T, Bahlke, O.O, Ameen, A.O, Li, Z.R, Arthur, C.P, Ciferri, C, Pless, S.A, Payandeh, J. | | Deposit date: | 2020-06-22 | | Release date: | 2020-07-29 | | Last modified: | 2020-11-25 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structure of the human sodium leak channel NALCN.
Nature, 587, 2020
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6MFS
 | | Mouse talin1 residues 1-138 fused to residues 169-400 in complex with phosphatidylinositol 4,5-bisphosphate (PIP2) | | Descriptor: | PHOSPHATE ION, Talin-1 fusion, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate | | Authors: | Izard, T, Chinthalapudi, K, Rangarajan, E.S. | | Deposit date: | 2018-09-12 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | The interaction of talin with the cell membrane is essential for integrin activation and focal adhesion formation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7AHN
 | | Cryo-EM structure of F-actin stabilized by cis-optoJASP-8 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Pospich, S, Raunser, S. | | Deposit date: | 2020-09-24 | | Release date: | 2021-01-27 | | Last modified: | 2021-04-14 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM Resolves Molecular Recognition Of An Optojasp Photoswitch Bound To Actin Filaments In Both Switch States.
Angew.Chem.Int.Ed.Engl., 60, 2021
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