4MSE
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![BU of 4mse by Molmil](/molmil-images/mine/4mse) | Crystal structure of PDE10A2 with fragment ZT1597 (2-({[(2S)-2-methyl-2,3-dihydro-1,3-benzothiazol-5-yl]oxy}methyl)quinoline) | Descriptor: | 2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Authors: | Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V. | Deposit date: | 2013-09-18 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography. J Biomol Screen, 19, 2014
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4MRZ
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![BU of 4mrz by Molmil](/molmil-images/mine/4mrz) | Crystal structure of PDE10A2 with fragment ZT0429 (4-methyl-3-nitropyridin-2-amine) | Descriptor: | 4-methyl-3-nitropyridin-2-amine, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Authors: | Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V. | Deposit date: | 2013-09-17 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography. J Biomol Screen, 19, 2014
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4MSA
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![BU of 4msa by Molmil](/molmil-images/mine/4msa) | Crystal structure of PDE10A2 with fragment ZT0449 (5-nitro-1H-benzimidazole) | Descriptor: | 5-nitro-1H-benzimidazole, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Authors: | Sridar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V. | Deposit date: | 2013-09-18 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography. J Biomol Screen, 19, 2014
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4MSC
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![BU of 4msc by Molmil](/molmil-images/mine/4msc) | Crystal structure of PDE10A2 with fragment ZT1595 (2-[(quinolin-7-yloxy)methyl]quinoline) | Descriptor: | 2-[(quinolin-7-yloxy)methyl]quinoline, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Authors: | Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V. | Deposit date: | 2013-09-18 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography. J Biomol Screen, 19, 2014
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6UYK
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![BU of 6uyk by Molmil](/molmil-images/mine/6uyk) | Dark-operative protochlorophyllide oxidoreductase in the nucleotide-free form. | Descriptor: | CHLORIDE ION, IRON/SULFUR CLUSTER, Light-independent protochlorophyllide reductase iron-sulfur ATP-binding protein | Authors: | Bacik, J.P, Imran, S.M.S, Watkins, M.B, Corless, E, Antony, E, Ando, N. | Deposit date: | 2019-11-13 | Release date: | 2020-12-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The flexible N-terminus of BchL autoinhibits activity through interaction with its [4Fe-4S] cluster and released upon ATP binding. J.Biol.Chem., 296, 2020
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4NAH
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![BU of 4nah by Molmil](/molmil-images/mine/4nah) | Inhibitors of 4-Phosphopanthetheine Adenylyltransferase (PPAT) | Descriptor: | 2-[(2-{(1S,2S)-2-[(3,4-dichlorobenzyl)carbamoyl]cyclohexyl}-6-ethylpyrimidin-4-yl)sulfanyl]-1H-imidazole-5-carboxylic acid, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Phosphopantetheine adenylyltransferase | Authors: | Lahiri, S.D. | Deposit date: | 2013-10-22 | Release date: | 2014-03-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Discovery of inhibitors of 4'-phosphopantetheine adenylyltransferase (PPAT) to validate PPAT as a target for antibacterial therapy. Antimicrob.Agents Chemother., 57, 2013
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6V7J
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![BU of 6v7j by Molmil](/molmil-images/mine/6v7j) | The C2221 crystal form of canavalin at 173 K | Descriptor: | BENZOIC ACID, CALCIUM ION, Canavalin, ... | Authors: | McPherson, A. | Deposit date: | 2019-12-08 | Release date: | 2020-02-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Binding of benzoic acid and anions within the cupin domains of the vicilin protein canavalin from jack bean (Canavalia ensiformis): Crystal structures. Biochem.Biophys.Res.Commun., 524, 2020
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4MS0
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![BU of 4ms0 by Molmil](/molmil-images/mine/4ms0) | Crystal structure of PDE10A2 with fragment ZT0443 (6-chloropyrimidine-2,4-diamine) | Descriptor: | 6-chloropyrimidine-2,4-diamine, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Authors: | Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V. | Deposit date: | 2013-09-18 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography. J Biomol Screen, 19, 2014
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4MTI
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![BU of 4mti by Molmil](/molmil-images/mine/4mti) | Crystal structure of cIAP1 BIR3 bound to T3258042 | Descriptor: | (3S,8aR)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION | Authors: | Snell, G.P, Dougan, D.R. | Deposit date: | 2013-09-19 | Release date: | 2013-12-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Design, synthesis, and biological activities of novel hexahydropyrazino[1,2-a]indole derivatives as potent inhibitors of apoptosis (IAP) proteins antagonists with improved membrane permeability across MDR1 expressing cells. Bioorg.Med.Chem., 21, 2013
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8RCL
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![BU of 8rcl by Molmil](/molmil-images/mine/8rcl) | |
6V7G
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![BU of 6v7g by Molmil](/molmil-images/mine/6v7g) | |
8P0T
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![BU of 8p0t by Molmil](/molmil-images/mine/8p0t) | |
4L1T
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![BU of 4l1t by Molmil](/molmil-images/mine/4l1t) | |
8R3V
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![BU of 8r3v by Molmil](/molmil-images/mine/8r3v) | |
8RC1
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![BU of 8rc1 by Molmil](/molmil-images/mine/8rc1) | |
4MU7
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![BU of 4mu7 by Molmil](/molmil-images/mine/4mu7) | Crystal structure of cIAP1 BIR3 bound to T3450325 | Descriptor: | (3S,10aS)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION | Authors: | Snell, G.P, Dougan, D.R. | Deposit date: | 2013-09-20 | Release date: | 2013-12-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Design, synthesis, and biological activities of novel hexahydropyrazino[1,2-a]indole derivatives as potent inhibitors of apoptosis (IAP) proteins antagonists with improved membrane permeability across MDR1 expressing cells. Bioorg.Med.Chem., 21, 2013
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8RGI
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![BU of 8rgi by Molmil](/molmil-images/mine/8rgi) | Structure of DYNLT1:DYNLT2B (TCTEX1:TCTEX1D2) heterodimer. | Descriptor: | Dynein light chain Tctex-type 1, Dynein light chain Tctex-type protein 2B | Authors: | Mukhopadhyay, A.G, Toropova, K, Daly, L, Wells, J, Vuolo, L, Seda, M, Jenkins, D, Stephens, D.J, Roberts, A.J. | Deposit date: | 2023-12-13 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structure and tethering mechanism of dynein-2 intermediate chains in intraflagellar transport. Embo J., 43, 2024
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8RCS
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![BU of 8rcs by Molmil](/molmil-images/mine/8rcs) | |
8RV2
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![BU of 8rv2 by Molmil](/molmil-images/mine/8rv2) | Structure of the formin INF2 bound to the barbed end of F-actin. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | Authors: | Oosterheert, W, Boiero Sanders, M, Funk, J, Prumbaum, D, Raunser, S, Bieling, P. | Deposit date: | 2024-01-31 | Release date: | 2024-04-10 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | Molecular mechanism of actin filament elongation by formins. Science, 384, 2024
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4LLJ
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![BU of 4llj by Molmil](/molmil-images/mine/4llj) | Crystal structure of PDE10A2 with fragment ZT214 | Descriptor: | 2H-isoindole-1,3-diamine, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Authors: | Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V. | Deposit date: | 2013-07-09 | Release date: | 2014-02-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography. J Biomol Screen, 19, 2014
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4LM0
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![BU of 4lm0 by Molmil](/molmil-images/mine/4lm0) | Crystal structure of PDE10A2 with fragment ZT448 | Descriptor: | 5-NITROINDAZOLE, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Authors: | Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V. | Deposit date: | 2013-07-09 | Release date: | 2014-02-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography. J Biomol Screen, 19, 2014
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6V7L
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![BU of 6v7l by Molmil](/molmil-images/mine/6v7l) | The structure of the P212121 crystal form of canavalin at 173 K | Descriptor: | BENZOIC ACID, Canavalin | Authors: | McPherson, A. | Deposit date: | 2019-12-08 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Binding of benzoic acid and anions within the cupin domains of the vicilin protein canavalin from jack bean (Canavalia ensiformis): Crystal structures. Biochem.Biophys.Res.Commun., 524, 2020
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4LLK
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![BU of 4llk by Molmil](/molmil-images/mine/4llk) | Crystal structure of PDE10A2 with fragment ZT217 | Descriptor: | 2-methylquinazolin-4(3H)-one, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Authors: | Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V. | Deposit date: | 2013-07-09 | Release date: | 2014-02-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography. J Biomol Screen, 19, 2014
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4LKQ
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![BU of 4lkq by Molmil](/molmil-images/mine/4lkq) | Crystal structure of PDE10A2 with fragment ZT017 | Descriptor: | 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Authors: | Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V. | Deposit date: | 2013-07-08 | Release date: | 2014-02-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography. J Biomol Screen, 19, 2014
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4MSN
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![BU of 4msn by Molmil](/molmil-images/mine/4msn) | Crystal structure of PDE10A2 with fragment ZT0451 (8-nitroquinoline) | Descriptor: | 8-nitroquinoline, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Authors: | Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V. | Deposit date: | 2013-09-18 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography. J Biomol Screen, 19, 2014
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