8GVV
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![BU of 8gvv by Molmil](/molmil-images/mine/8gvv) | PTPN21 PTP domain C1108S mutant | Descriptor: | IODIDE ION, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 21 | Authors: | Chen, L, Zheng, Y.Y, Zhou, C. | Deposit date: | 2022-09-15 | Release date: | 2023-09-20 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural analysis of PTPN21 reveals a dominant-negative effect of the FERM domain on its phosphatase activity. Sci Adv, 10, 2024
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8GXE
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![BU of 8gxe by Molmil](/molmil-images/mine/8gxe) | PTPN21 FERM PTP complex | Descriptor: | CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 21 | Authors: | Chen, L, Zheng, Y.Y, Zhou, C. | Deposit date: | 2022-09-19 | Release date: | 2023-09-27 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural analysis of PTPN21 reveals a dominant-negative effect of the FERM domain on its phosphatase activity. Sci Adv, 10, 2024
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8GTH
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![BU of 8gth by Molmil](/molmil-images/mine/8gth) | |
3V6S
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![BU of 3v6s by Molmil](/molmil-images/mine/3v6s) | |
5ZTY
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![BU of 5zty by Molmil](/molmil-images/mine/5zty) | Crystal structure of human G protein coupled receptor | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, X.T, Hua, T, Wu, L.J, Liu, Z.J. | Deposit date: | 2018-05-05 | Release date: | 2019-01-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Human Cannabinoid Receptor CB2 Cell, 176, 2019
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3ELM
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![BU of 3elm by Molmil](/molmil-images/mine/3elm) | Crystal Structure of MMP-13 Complexed with Inhibitor 24f | Descriptor: | (2R)-({[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl}amino){1-[(1-methylethoxy)carbonyl]piperidin-4-yl}ethanoic acid, CALCIUM ION, Collagenase 3, ... | Authors: | Kulathila, R, Monovich, L, Koehn, J. | Deposit date: | 2008-09-22 | Release date: | 2009-07-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of potent, selective, and orally active carboxylic acid based inhibitors of matrix metalloproteinase-13 J.Med.Chem., 52, 2009
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7TTD
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![BU of 7ttd by Molmil](/molmil-images/mine/7ttd) | Tubulin-RB3_SLD in complex with compound 12e | Descriptor: | 7-methoxy-4-[2-(morpholin-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2022-02-01 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo. Acs Pharmacol Transl Sci, 6, 2023
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7TTF
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![BU of 7ttf by Molmil](/molmil-images/mine/7ttf) | Tubulin-RB3_SLD in complex with compound 12k | Descriptor: | 7-methoxy-4-[2-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2022-02-01 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo. Acs Pharmacol Transl Sci, 6, 2023
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7TTE
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![BU of 7tte by Molmil](/molmil-images/mine/7tte) | Tubulin-RB3_SLD in complex with compound 12j | Descriptor: | 4-[2-(cyclopropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2022-02-01 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo. Acs Pharmacol Transl Sci, 6, 2023
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5XOR
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![BU of 5xor by Molmil](/molmil-images/mine/5xor) | |
3VEV
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![BU of 3vev by Molmil](/molmil-images/mine/3vev) | Glucokinase in complex with an activator and glucose | Descriptor: | (2S)-3-cyclopentyl-N-(5-methylpyridin-2-yl)-2-[2-oxo-4-(trifluoromethyl)pyridin-1(2H)-yl]propanamide, Glucokinase, SODIUM ION, ... | Authors: | Liu, S. | Deposit date: | 2012-01-09 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS. J.Biol.Chem., 287, 2012
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7VPF
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4WV9
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![BU of 4wv9 by Molmil](/molmil-images/mine/4wv9) | Crystal structure of acetylcholine binding protein (AChBP) from Aplysia Californica in complex with click chemistry compound (3-exo)-8,8-dimethyl-3-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]-8-azoniabicyclo[3.2.1]octane | Descriptor: | (3-exo)-8,8-dimethyl-3-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]-8-azoniabicyclo[3.2.1]octane, Soluble acetylcholine receptor | Authors: | Talley, T.T, Bobango, J, Wu, J.M, Sankaran, B. | Deposit date: | 2014-11-04 | Release date: | 2015-04-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of acetylcholine binding protein (AChBP) from Aplysia Californica in complex with click chemistry compound. To Be Published
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6ACU
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![BU of 6acu by Molmil](/molmil-images/mine/6acu) | The structure of CVA10 virus mature virion | Descriptor: | SPHINGOSINE, VP1, VP2, ... | Authors: | Cui, Y.X, Zheng, Q.B, Zhu, R, Xu, L.F, Li, S.W, Yan, X.D, Zhou, Z.H, Cheng, T. | Deposit date: | 2018-07-27 | Release date: | 2018-11-21 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Discovery and structural characterization of a therapeutic antibody against coxsackievirus A10. Sci Adv, 4, 2018
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4ZJS
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![BU of 4zjs by Molmil](/molmil-images/mine/4zjs) | Crystal structure of a chimeric acetylcholine binding protein from Aplysia Californica (Ac-AChBP) containing the main immunogenic region (MIR) from the human alpha 1 subunit of the muscle nicotinic acetylcholine receptor in complex with anatoxin-A. | Descriptor: | 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone, Acetylcholine receptor subunit alpha,Soluble acetylcholine receptor,Acetylcholine receptor subunit alpha,Soluble acetylcholine receptor | Authors: | Talley, T.T, Bobango, J, Wu, J, Park, J.F, Luo, J, Lindsatrom, J, Taylor, P. | Deposit date: | 2015-04-29 | Release date: | 2015-05-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2301 Å) | Cite: | Main immunogenic region structure promotes binding of conformation-dependent myasthenia gravis autoantibodies, nicotinic acetylcholine receptor conformation maturation, and agonist sensitivity. J. Neurosci., 29, 2009
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3E5M
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![BU of 3e5m by Molmil](/molmil-images/mine/3e5m) | Crystal structure of the HSCARG Y81A mutant | Descriptor: | NmrA-like family domain-containing protein 1 | Authors: | Li, Y, Meng, G, Dai, X, Luo, M, Zheng, X. | Deposit date: | 2008-08-14 | Release date: | 2009-05-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | NADPH is an allosteric regulator of HSCARG J.Mol.Biol., 387, 2009
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3VF6
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![BU of 3vf6 by Molmil](/molmil-images/mine/3vf6) | Glucokinase in complex with glucose and activator | Descriptor: | 6-({(2S)-3-cyclopentyl-2-[4-(trifluoromethyl)-1H-imidazol-1-yl]propanoyl}amino)pyridine-3-carboxylic acid, Glucokinase, SODIUM ION, ... | Authors: | Liu, S. | Deposit date: | 2012-01-09 | Release date: | 2012-02-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS. J.Biol.Chem., 287, 2012
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2BFE
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![BU of 2bfe by Molmil](/molmil-images/mine/2bfe) | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, ... | Authors: | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | Deposit date: | 2004-12-06 | Release date: | 2006-02-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase. Structure, 14, 2006
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2BFD
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![BU of 2bfd by Molmil](/molmil-images/mine/2bfd) | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, ... | Authors: | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | Deposit date: | 2004-12-06 | Release date: | 2006-02-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase. Structure, 14, 2006
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8GBN
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![BU of 8gbn by Molmil](/molmil-images/mine/8gbn) | Structure of Apo Human SIRT5 P114T Mutant | Descriptor: | 1,2-ETHANEDIOL, NAD-dependent protein deacylase sirtuin-5, mitochondrial, ... | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2023-02-26 | Release date: | 2024-06-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Human SIRT5 variants with reduced stability and activity do not cause neuropathology in mice. Iscience, 27, 2024
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8GBL
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![BU of 8gbl by Molmil](/molmil-images/mine/8gbl) | Structure of Apo Human SIRT5 | Descriptor: | NAD-dependent protein deacylase sirtuin-5, mitochondrial, ZINC ION | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2023-02-26 | Release date: | 2024-06-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Human SIRT5 variants with reduced stability and activity do not cause neuropathology in mice. Iscience, 27, 2024
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2BFC
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![BU of 2bfc by Molmil](/molmil-images/mine/2bfc) | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ... | Authors: | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | Deposit date: | 2004-12-06 | Release date: | 2006-02-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase. Structure, 14, 2006
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6ACW
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![BU of 6acw by Molmil](/molmil-images/mine/6acw) | The structure of CVA10 virus procapsid particle | Descriptor: | VP0, VP1, VP3 | Authors: | Zhu, R, Xu, L.F, Zheng, Q.B, Cui, Y.X, Li, S.W, Yan, X.D, Zhou, Z.H, Cheng, T. | Deposit date: | 2018-07-27 | Release date: | 2018-11-21 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Discovery and structural characterization of a therapeutic antibody against coxsackievirus A10. Sci Adv, 4, 2018
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6O9M
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![BU of 6o9m by Molmil](/molmil-images/mine/6o9m) | Structure of the human apo TFIIH | Descriptor: | CDK-activating kinase assembly factor MAT1, General transcription factor IIH subunit 1, General transcription factor IIH subunit 2, ... | Authors: | Yan, C.L, Dodd, T, He, Y, Tainer, J.A, Tsutakawa, S.E, Ivanov, I. | Deposit date: | 2019-03-14 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Transcription preinitiation complex structure and dynamics provide insight into genetic diseases. Nat.Struct.Mol.Biol., 26, 2019
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3VEY
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![BU of 3vey by Molmil](/molmil-images/mine/3vey) | glucokinase in complex with glucose and ATPgS | Descriptor: | 6-methoxy-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine, Glucokinase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Liu, S. | Deposit date: | 2012-01-09 | Release date: | 2012-02-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS. J.Biol.Chem., 287, 2012
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