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7QHA
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BU of 7qha by Molmil
Cryo-EM structure of the Tripartite ATP-independent Periplasmic (TRAP) transporter SiaQM from Photobacterium profundum in amphipol
Descriptor: Megabody c7HopQ, Putative TRAP-type C4-dicarboxylate transport system, large permease component, ...
Authors:North, R.A, Davies, J.S, Morado, D, Dobson, R.C.J.
Deposit date:2021-12-11
Release date:2022-12-21
Last modified:2023-03-22
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structure and mechanism of a tripartite ATP-independent periplasmic TRAP transporter.
Nat Commun, 14, 2023
5B4L
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BU of 5b4l by Molmil
Crystal structure of the catalytic domain of human PDE10A complexed with 1-(cyclopropylmethyl)-5-(2-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-yl)ethoxy)-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one
Descriptor: 1-(cyclopropylmethyl)-5-(2-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-yl)ethoxy)-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Oki, H, Zama, Y.
Deposit date:2016-04-05
Release date:2016-06-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design and synthesis of potent and selective pyridazin-4(1H)-one-based PDE10A inhibitors interacting with Tyr683 in the PDE10A selectivity pocket
Bioorg.Med.Chem., 24, 2016
5B4K
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BU of 5b4k by Molmil
Crystal structure of the catalytic domain of human PDE10A complexed with N-(4-((5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy)phenyl)-1H-benzimidazol-2-amine
Descriptor: MAGNESIUM ION, N-(4-((5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy)phenyl)-1H-benzimidazol-2-amine, ZINC ION, ...
Authors:Oki, H, Zama, Y.
Deposit date:2016-04-05
Release date:2016-06-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design and synthesis of potent and selective pyridazin-4(1H)-one-based PDE10A inhibitors interacting with Tyr683 in the PDE10A selectivity pocket
Bioorg.Med.Chem., 24, 2016
8E73
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BU of 8e73 by Molmil
Vigna radiata supercomplex I+III2 (full bridge)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ...
Authors:Maldonado, M, Letts, J.A.
Deposit date:2022-08-23
Release date:2023-01-11
Last modified:2023-02-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Plant-specific features of respiratory supercomplex I + III 2 from Vigna radiata.
Nat.Plants, 9, 2023
4QTS
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BU of 4qts by Molmil
Crystal structure of Csm3-Csm4 subcomplex in the type III-A CRISPR-Cas interference complex
Descriptor: CRISPR type III-associated RAMP protein Csm3, CRISPR type III-associated RAMP protein Csm4, ZINC ION
Authors:Numata, T, Inanaga, H, Osawa, T.
Deposit date:2014-07-09
Release date:2014-12-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.105 Å)
Cite:Crystal structure of the Csm3-Csm4 subcomplex in the type III-A CRISPR-Cas interference complex.
J.Mol.Biol., 427, 2015
4XY2
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BU of 4xy2 by Molmil
Crystal structure of PDE10A in complex with ASP9436
Descriptor: 1-methyl-5-(1-methyl-3-{[4-(1-methyl-1H-benzimidazol-4-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Amano, Y, Honbou, K.
Deposit date:2015-02-02
Release date:2015-06-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Addressing phototoxicity observed in a novel series of biaryl derivatives: Discovery of potent, selective and orally active phosphodiesterase 10A inhibitor ASP9436
Bioorg.Med.Chem., 23, 2015
4QU4
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BU of 4qu4 by Molmil
Improved refinement of the Mtr4 apo crystal structure
Descriptor: ATP-dependent RNA helicase DOB1, PHOSPHATE ION
Authors:Johnson, S.J, Taylor, L.L.
Deposit date:2014-07-10
Release date:2014-12-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.392 Å)
Cite:The Mtr4 ratchet helix and arch domain both function to promote RNA unwinding.
Nucleic Acids Res., 42, 2014
7RZY
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BU of 7rzy by Molmil
CryoEM structure of Vibrio cholerae transposon Tn6677 AAA+ ATPase TnsC
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Tn6677 Vibrio cholerae transposon TnsC (VchTnsC)
Authors:Hoffmann, F.T, Kim, M, Beh, L.Y, Wang, J, Vo, P.L.H, Gelsinger, D.R, Acree, C, Mohabir, J.T, Fernandez, I.S, Sternberg, S.H.
Deposit date:2021-08-28
Release date:2022-06-08
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Selective TnsC recruitment enhances the fidelity of RNA-guided transposition.
Nature, 609, 2022
1PHD
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BU of 1phd by Molmil
CRYSTAL STRUCTURES OF METYRAPONE-AND PHENYLIMIDAZOLE-INHIBITED COMPLEXES OF CYTOCHROME P450-CAM
Descriptor: 1-phenyl-1H-imidazole, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
Authors:Poulos, T.L.
Deposit date:1992-07-27
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of metyrapone- and phenylimidazole-inhibited complexes of cytochrome P-450cam.
Biochemistry, 26, 1987
1PHG
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BU of 1phg by Molmil
CRYSTAL STRUCTURES OF METYRAPONE-AND PHENYLIMIDAZOLE-INHIBITED COMPLEXES OF CYTOCHROME P450-CAM
Descriptor: CYTOCHROME P450-CAM, METYRAPONE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Poulos, T.L.
Deposit date:1992-07-27
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of metyrapone- and phenylimidazole-inhibited complexes of cytochrome P-450cam.
Biochemistry, 26, 1987
2M19
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BU of 2m19 by Molmil
Solution structure of the Haloferax volcanii HVO 2177 protein
Descriptor: Molybdopterin converting factor subunit 1
Authors:Li, Y, Maciejewski, M.W, Martin, J, Jin, K, Zhang, Y, Lu, M, Maupin-Furlow, J.A, Hao, B.
Deposit date:2012-11-21
Release date:2013-08-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Crystal structure of the ubiquitin-like small archaeal modifier protein 2 from Haloferax volcanii.
Protein Sci., 22, 2013
5C2H
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BU of 5c2h by Molmil
PDE10 complexed with 6-chloro-N-[(2,4-dimethylthiazol-5-yl)methyl]-5-methyl-2-[3-(2-quinolyl)propoxy]pyrimidin-4-amine
Descriptor: 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione, 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[3-(quinolin-2-yl)propoxy]pyrimidin-4-amine, MAGNESIUM ION, ...
Authors:Yan, Y.
Deposit date:2015-06-15
Release date:2015-10-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis.
J.Med.Chem., 58, 2015
1N7S
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BU of 1n7s by Molmil
High Resolution Structure of a Truncated Neuronal SNARE Complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, SNAP-25A, ...
Authors:Ernst, J.A, Brunger, A.T.
Deposit date:2002-11-16
Release date:2002-12-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:High Resolution Structure, Stability, and Synaptotagmin Binding of a Truncated Neuronal SNARE Complex
J.Biol.Chem., 278, 2003
1PHF
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BU of 1phf by Molmil
CRYSTAL STRUCTURES OF METYRAPONE-AND PHENYLIMIDAZOLE-INHIBITED COMPLEXES OF CYTOCHROME P450-CAM
Descriptor: 4-PHENYL-1H-IMIDAZOLE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
Authors:Poulos, T.L.
Deposit date:1992-07-27
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of metyrapone- and phenylimidazole-inhibited complexes of cytochrome P-450cam.
Biochemistry, 26, 1987
1PHE
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BU of 1phe by Molmil
CRYSTAL STRUCTURES OF METYRAPONE-AND PHENYLIMIDAZOLE-INHIBITED COMPLEXES OF CYTOCHROME P450-CAM
Descriptor: 2-phenyl-1H-imidazole, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Poulos, T.L.
Deposit date:1992-07-27
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of metyrapone- and phenylimidazole-inhibited complexes of cytochrome P-450cam.
Biochemistry, 26, 1987
4TPP
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BU of 4tpp by Molmil
2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors
Descriptor: 1-[4-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}quinoxalin-2-yl)piperidin-1-yl]ethanone, GLYCEROL, SULFATE ION, ...
Authors:Chmait, S.
Deposit date:2014-06-09
Release date:2014-12-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Synthesis and preliminary biological evaluation of potent and selective 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors with improved solubility.
Bioorg.Med.Chem., 22, 2014
7TBG
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BU of 7tbg by Molmil
AtTPC1 D454N with 1 mM Ca2+
Descriptor: CALCIUM ION, SODIUM ION, Two pore calcium channel protein 1
Authors:Dickinson, M.S, Stroud, R.M.
Deposit date:2021-12-22
Release date:2022-02-02
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Molecular basis of multistep voltage activation in plant two-pore channel 1.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TDF
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BU of 7tdf by Molmil
AtTPC1 D454N with 1 mM EDTA state I
Descriptor: Two pore calcium channel protein 1
Authors:Dickinson, M.S, Stroud, R.M.
Deposit date:2021-12-31
Release date:2022-02-02
Last modified:2022-03-09
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Molecular basis of multistep voltage activation in plant two-pore channel 1.
Proc.Natl.Acad.Sci.USA, 119, 2022
5DH5
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BU of 5dh5 by Molmil
PDE10 complexed with N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-(2-pyridyl)cyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine
Descriptor: MAGNESIUM ION, N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-{[(1S,2S)-2-(pyridin-2-yl)cyclopropyl]methoxy}pyrazolo[1,5-a]pyrimidin-7-amine, ZINC ION, ...
Authors:Yan, Y.
Deposit date:2015-08-29
Release date:2016-01-27
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of pyrazolopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorg.Med.Chem.Lett., 26, 2016
1N2O
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BU of 1n2o by Molmil
Crystal Structure of Pantothenate Synthetase from M. tuberculosis, low occupancy of beta-alanine at the pantoate binding sites
Descriptor: BETA-ALANINE, SULFATE ION, pantothenate synthetase
Authors:Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-10-23
Release date:2003-04-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003
4TPM
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BU of 4tpm by Molmil
Crystal structure of 2-(3-alkoxy-1-azetidinyl) quinolines as PDE10A Inhibitors
Descriptor: GLYCEROL, SULFATE ION, ZINC ION, ...
Authors:Chmait, S.
Deposit date:2014-06-08
Release date:2014-12-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Synthesis and preliminary biological evaluation of potent and selective 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors with improved solubility.
Bioorg.Med.Chem., 22, 2014
6NUE
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BU of 6nue by Molmil
Small conformation of apo CRISPR_Csm complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CRISPR system Cms protein Csm2, CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), ...
Authors:Zhang, K, Pintilie, G, Li, S, Zhu, Y, Chiu, W, Huang, Z.
Deposit date:2019-01-31
Release date:2019-03-13
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Coupling of ssRNA cleavage with DNase activity in type III-A CRISPR-Csm revealed by cryo-EM and biochemistry.
Cell Res., 29, 2019
8C38
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BU of 8c38 by Molmil
Contracted cowpea chlorotic mottle virus
Descriptor: Capsid protein
Authors:Harder, O.F, Barrass, S.V, Drabbels, M, Lorenz, U.J.
Deposit date:2022-12-23
Release date:2023-10-18
Method:ELECTRON MICROSCOPY (1.64 Å)
Cite:Fast viral dynamics revealed by microsecond time-resolved cryo-EM.
Nat Commun, 14, 2023
3FAS
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BU of 3fas by Molmil
X-ray structure of iGluR4 flip ligand-binding core (S1S2) in complex with (S)-glutamate at 1.40A resolution
Descriptor: GLUTAMIC ACID, GLYCEROL, Glutamate receptor 4, ...
Authors:Kasper, C, Frydenvang, K, Naur, P, Gajhede, M, Kastrup, J.S.
Deposit date:2008-11-18
Release date:2008-12-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular mechanism of agonist recognition by the ligand-binding core of the ionotropic glutamate receptor 4
Febs Lett., 582, 2008
1N2I
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BU of 1n2i by Molmil
Crystal Structure of Pantothenate Synthetase from M. tuberculosis in complex with a reaction intermediate, pantoyl adenylate, different occupancies of pantoyl adenylate
Descriptor: ETHANOL, GLYCEROL, PANTOYL ADENYLATE, ...
Authors:Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-10-22
Release date:2003-04-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003

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