5FW0
 
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(2-(5-((2-methoxyethyl)(methyl)amino)pyridin-3-yl) ethyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-(5-((2-methoxyethyl)(methyl)amino)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2016-02-10 | | Release date: | 2016-04-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker.
J.Med.Chem., 59, 2016
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7AIY
 | | Crystal structure of human butyrylcholinesterase in complex with 2-{1-[4-(12-Amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl)butyl]-1H-1,2,3-triazol-4-yl}-N-[4-hydroxy-3-methoxybenzyl]acetamide | | Descriptor: | 2-{1-[4-(12-Amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl)butyl]-1H-1,2,3-triazol-4-yl}-N-[4-hydroxy-3-methoxybenzyl]acetamide, Cholinesterase | | Authors: | Coquelle, N, Colletier, J.P. | | Deposit date: | 2020-09-28 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.937 Å) | | Cite: | Discovery of a Potent Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase with Antioxidant Activity that Alleviates Alzheimer-like Pathology in Old APP/PS1 Mice.
J.Med.Chem., 64, 2021
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5G0P
 | | Structure of rat neuronal nitric oxide synthase M336V D597N mutant heme domain in complex with 6-(2-(5-(3-(DIMETHYLAMINO)PROPYL)PYRIDIN- 3-YL)ETHYL)-4-METHYLPYRIDIN-2-AMINE | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-(5-(3-(DIMETHYLAMINO)PROPYL)PYRIDIN-3-YL)ETHYL)-4-METHYLPYRIDIN-2-AMINE, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2016-03-21 | | Release date: | 2016-06-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Electrostatic Control of Isoform Selective Inhibitor Binding in Nitric Oxide Synthase.
Biochemistry, 55, 2016
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5FVV
 | | Structure of human nNOS R354A G357D mutant heme domain in complex with 4-methyl-6-(2-(5-(1-methylpiperidin-4-yl)pyridin-3-yl)ethyl) pyridin-2-amine | | Descriptor: | 4-methyl-6-(2-(5-(1-methylpiperidin-4-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2016-02-10 | | Release date: | 2016-04-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker.
J.Med.Chem., 59, 2016
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5FL0
 | | Structure of a hydrolase with an inhibitor | | Descriptor: | (3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d] [1,3]thiazole-6,7-diol, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Cekic, N, Heinonen, J.E, Stubbs, K.A, Roth, C, McEachern, E.J, Davies, G.J, Vocadlo, D.J. | | Deposit date: | 2015-10-20 | | Release date: | 2016-08-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Analysis of transition state mimicry by tight binding aminothiazoline inhibitors provides insight into catalysis by humanO-GlcNAcase.
Chem Sci, 7, 2016
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8PD0
 | | cryo-EM structure of Doa10 in MSP1E3D1 | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ERAD-associated E3 ubiquitin-protein ligase DOA10 | | Authors: | Botsch, J.J, Braeuning, B, Schulman, B.A. | | Deposit date: | 2023-06-11 | | Release date: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Doa10/MARCH6 architecture interconnects E3 ligase activity with lipid-binding transmembrane channel to regulate SQLE.
Nat Commun, 15, 2024
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8PDA
 | | cryo-EM structure of Doa10 with RING domain in MSP1E3D1 | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ERAD-associated E3 ubiquitin-protein ligase DOA10 | | Authors: | Botsch, J.J, Braeuning, B, Schulman, B.A. | | Deposit date: | 2023-06-12 | | Release date: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Doa10/MARCH6 architecture interconnects E3 ligase activity with lipid-binding transmembrane channel to regulate SQLE.
Nat Commun, 15, 2024
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7AKQ
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7QNE
 | | Cryo-EM structure of human full-length synaptic alpha1beta3gamma2 GABA(A)R in complex with Ro15-4513 and megabody Mb38 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Sente, A, Desai, R, Naydenova, K, Malinauskas, T, Jounaidi, Y, Miehling, J, Zhou, X, Masiulis, S, Hardwick, S.W, Chirgadze, D.Y, Miller, K.W, Aricescu, A.R. | | Deposit date: | 2021-12-20 | | Release date: | 2022-04-13 | | Last modified: | 2022-05-04 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Differential assembly diversifies GABA A receptor structures and signalling.
Nature, 604, 2022
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7F0L
 | | STRUCTURE OF PHOTOSYNTHETIC LH1-RC SUPER-COMPLEX OF RHODOBACTER SPHAEROIDES MONOMER | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, Antenna pigment protein beta chain, BACTERIOCHLOROPHYLL A, ... | | Authors: | Tani, K, Nagashima, V.P, Kanno, R, Kawamura, S, Kikuchi, R, Ji, X.-C, Hall, M, Yu, L.-J, Kimura, Y, Madigan, M.T, Mizoguchi, A, Humbel, B.M, Wang-Otomo, Z.-Y. | | Deposit date: | 2021-06-05 | | Release date: | 2021-11-10 | | Last modified: | 2021-11-17 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | A previously unrecognized membrane protein in the Rhodobacter sphaeroides LH1-RC photocomplex.
Nat Commun, 12, 2021
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7AL8
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7QHV
 | | Crystal structure of the sulfoquinovosyl binding protein SmoF complexed with sulfoquinovosyl diacylglycerol | | Descriptor: | GLYCINE, Sulfoquinovosyl binding protein, [(2~{S},3~{S},4~{S},5~{R},6~{S})-6-[(2~{S})-3-butanoyloxy-2-heptanoyloxy-propoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid | | Authors: | Snow, A, Davies, G.J. | | Deposit date: | 2021-12-14 | | Release date: | 2022-04-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | The sulfoquinovosyl glycerol binding protein SmoF binds and accommodates plant sulfolipids.
Curr Res Struct Biol, 4, 2022
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7AWP
 | | Structure of the thermostabilized EAAT1 cryst-II mutant in complex with rubidium and barium ions and the allosteric inhibitor UCPH101 | | Descriptor: | 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile, BARIUM ION, Excitatory amino acid transporter 1,Neutral amino acid transporter B(0),Excitatory amino acid transporter 1, ... | | Authors: | Canul-Tec, J.C, Legrand, P, Reyes, N. | | Deposit date: | 2020-11-08 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.91 Å) | | Cite: | The ion-coupling mechanism of human excitatory amino acid transporters.
Embo J., 41, 2022
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7FAS
 | | VAR2CSA 3D7 ectodomain core region | | Descriptor: | Erythrocyte membrane protein 1, PfEMP1 | | Authors: | Wang, L, Zhaoning, W. | | Deposit date: | 2021-07-07 | | Release date: | 2021-11-17 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | The molecular mechanism of cytoadherence to placental or tumor cells through VAR2CSA from Plasmodium falciparum.
Cell Discov, 7, 2021
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7AWM
 | | Structure of the thermostabilized EAAT1 cryst mutant in complex with L-ASP, three sodium ions and the allosteric inhibitor UCPH101 | | Descriptor: | 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile, ASPARTIC ACID, BARIUM ION, ... | | Authors: | Canul-Tec, J.C, Legrand, P, Reyes, N. | | Deposit date: | 2020-11-08 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | The ion-coupling mechanism of human excitatory amino acid transporters.
Embo J., 41, 2022
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7AWQ
 | | Structure of the thermostabilized EAAT1 cryst-E386Q mutant in complex with L-ASP, sodium ions and the allosteric inhibitor UCPH101 | | Descriptor: | 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile, ASPARTIC ACID, BARIUM ION, ... | | Authors: | Canul-Tec, J.C, Legrand, P, Reyes, N. | | Deposit date: | 2020-11-08 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.65 Å) | | Cite: | The ion-coupling mechanism of human excitatory amino acid transporters.
Embo J., 41, 2022
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7AWN
 | | Structure of the thermostabilized EAAT1 cryst mutant in complex with rubidium and barium and the allosteric inhibitor UCPH101 | | Descriptor: | 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile, BARIUM ION, Excitatory amino acid transporter 1,Neutral amino acid transporter B(0),Excitatory amino acid transporter 1, ... | | Authors: | Canul-Tec, J.C, Legrand, P, Reyes, N. | | Deposit date: | 2020-11-08 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.92 Å) | | Cite: | The ion-coupling mechanism of human excitatory amino acid transporters.
Embo J., 41, 2022
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4I5U
 | | Crystal structure of a fungal chimeric cellobiohydrolase Cel6A | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Chimeric cel6A, ... | | Authors: | Arnold, F.H, Wu, I. | | Deposit date: | 2012-11-29 | | Release date: | 2013-04-03 | | Last modified: | 2017-08-09 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Engineered thermostable fungal Cel6A and Cel7A cellobiohydrolases hydrolyze cellulose efficiently at elevated temperatures.
Biotechnol.Bioeng., 110, 2013
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8PQL
 | | K48-linked ubiquitin chain formation with a cullin-RING E3 ligase and Cdc34: NEDD8-CUL2-RBX1-ELOB/C-FEM1C with trapped UBE2R2-donor UB-acceptor UB-SIL1 peptide | | Descriptor: | 5-azanylpentan-2-one, Cullin-2, E3 ubiquitin-protein ligase RBX1, ... | | Authors: | Liwocha, J, Prabu, J.R, Kleiger, G, Schulman, B.A. | | Deposit date: | 2023-07-11 | | Release date: | 2024-02-14 | | Last modified: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (3.76 Å) | | Cite: | Mechanism of millisecond Lys48-linked poly-ubiquitin chain formation by cullin-RING ligases.
Nat.Struct.Mol.Biol., 31, 2024
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8Q5H
 | | Human KMN network (outer kinetochore) | | Descriptor: | Kinetochore protein Spc24, Kinetochore protein Spc25, Kinetochore scaffold 1, ... | | Authors: | Raisch, T, Polley, S, Vetter, I, Musacchio, A, Raunser, S. | | Deposit date: | 2023-08-09 | | Release date: | 2024-02-14 | | Last modified: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structure of the human KMN complex and implications for regulation of its assembly.
Nat.Struct.Mol.Biol., 31, 2024
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5EHI
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7B26
 | | CirpA1 in complex with pseudo-monomeric Properdin lacking TSR2-3 | | Descriptor: | CirpA1, Properdin, alpha-D-mannopyranose, ... | | Authors: | Lea, S.M, Johnson, S, Braunger, K. | | Deposit date: | 2020-11-26 | | Release date: | 2021-12-08 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structure and function of a family of tick-derived complement inhibitors targeting properdin.
Nat Commun, 13, 2022
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5EE4
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4HOM
 | | Crystal structure of porcine aminopeptidase-N complexed with substance P | | 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chen, L, Lin, Y.L, Peng, G, Li, F. | | Deposit date: | 2012-10-22 | | Release date: | 2012-10-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for multifunctional roles of mammalian aminopeptidase N.
Proc.Natl.Acad.Sci.USA, 109, 2012
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7EWL
 | | cryo-EM structure of apo GPR158 | | Descriptor: | Probable G-protein coupled receptor 158 | | Authors: | Jeong, E, Kim, Y, Jeong, J, Cho, Y. | | Deposit date: | 2021-05-25 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Structure of the class C orphan GPCR GPR158 in complex with RGS7-G beta 5.
Nat Commun, 12, 2021
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