7MSS
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![BU of 7mss by Molmil](/molmil-images/mine/7mss) | Human E105Qa GTP-specific succinyl-CoA synthetase complexed with succinate, magnesium ion and CoA | Descriptor: | COENZYME A, GLYCEROL, MAGNESIUM ION, ... | Authors: | Huang, J, Fraser, M.E. | Deposit date: | 2021-05-12 | Release date: | 2022-10-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The structure of succinyl-CoA synthetase bound to the succinyl-phosphate intermediate clarifies the catalytic mechanism of ATP-citrate lyase Acta Crystallogr.,Sect.F, 78, 2022
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7MSR
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![BU of 7msr by Molmil](/molmil-images/mine/7msr) | Human E105Qa GTP-specific succinyl-CoA synthetase complexed with succinyl-phosphate, magnesium ion and desulfo-coenzyme A | Descriptor: | 1,2-ETHANEDIOL, 4-oxo-4-(phosphonooxy)butanoic acid, DESULFO-COENZYME A, ... | Authors: | Huang, J, Fraser, M.E. | Deposit date: | 2021-05-12 | Release date: | 2022-10-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | The structure of succinyl-CoA synthetase bound to the succinyl-phosphate intermediate clarifies the catalytic mechanism of ATP-citrate lyase Acta Crystallogr.,Sect.F, 78, 2022
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6XR8
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![BU of 6xr8 by Molmil](/molmil-images/mine/6xr8) | Distinct conformational states of SARS-CoV-2 spike protein | 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Cai, Y.F, Xiao, T.S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Rawson, S, Volloch, S.R, Chen, B. | Deposit date: | 2020-07-11 | Release date: | 2020-07-22 | Last modified: | 2020-11-25 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Distinct conformational states of SARS-CoV-2 spike protein. Science, 369, 2020
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7N1R
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![BU of 7n1r by Molmil](/molmil-images/mine/7n1r) | A novel and unique ATP hydrolysis to AMP by a human Hsp70 BiP | Descriptor: | ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, Endoplasmic reticulum chaperone BiP, ... | Authors: | Yang, J, Musayev, F, Liu, Q. | Deposit date: | 2021-05-28 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | A novel and unique ATP hydrolysis to AMP by a human Hsp70 Binding immunoglobin protein (BiP). Protein Sci., 31, 2022
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7MKK
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![BU of 7mkk by Molmil](/molmil-images/mine/7mkk) | |
5D7D
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![BU of 5d7d by Molmil](/molmil-images/mine/5d7d) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ... | Authors: | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | Deposit date: | 2015-08-13 | Release date: | 2015-11-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors. Acs Med.Chem.Lett., 6, 2015
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6XRA
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![BU of 6xra by Molmil](/molmil-images/mine/6xra) | Distinct conformational states of SARS-CoV-2 spike protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Zhang, J, Cai, Y.F, Xiao, T.S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Rawson, S, Rits-Volloch, S, Chen, B. | Deposit date: | 2020-07-11 | Release date: | 2020-07-22 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Distinct conformational states of SARS-CoV-2 spike protein. Science, 369, 2020
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5D7R
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![BU of 5d7r by Molmil](/molmil-images/mine/5d7r) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-hydroxy-5-[5-(6-hydroxy-7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid, CHLORIDE ION, ... | Authors: | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | Deposit date: | 2015-08-14 | Release date: | 2015-11-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors. Acs Med.Chem.Lett., 6, 2015
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6WCV
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![BU of 6wcv by Molmil](/molmil-images/mine/6wcv) | Tartryl-CoA bound to human GTP-specific succinyl-CoA synthetase | Descriptor: | (3S,5S,9R,20R,21R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,20, 21-pentahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name), Succinate--CoA ligase [ADP/GDP-forming] subunit alpha, ... | Authors: | Huang, J, Fraser, M.E. | Deposit date: | 2020-03-31 | Release date: | 2020-07-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Tartryl-CoA inhibits succinyl-CoA synthetase Acta Crystallogr.,Sect.F, 76, 2020
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5YOX
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![BU of 5yox by Molmil](/molmil-images/mine/5yox) | HD domain-containing protein YGK1(YGL101W) | Descriptor: | HD domain-containing protein YGL101W, ZINC ION | Authors: | Yang, J, Wang, F, Gao, Z, Zhou, K, Liu, Q. | Deposit date: | 2017-10-31 | Release date: | 2018-11-21 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | HD domain-containing protein YGK1(YGL101W) To Be Published
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8HOA
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![BU of 8hoa by Molmil](/molmil-images/mine/8hoa) | ScRIPK mutant K124R | Descriptor: | (2R,5R)-hexane-2,5-diol, ADENOSINE-5'-TRIPHOSPHATE, FORMIC ACID, ... | Authors: | Fang, J.L, Zhang, M.Q, Ming, Z.H. | Deposit date: | 2022-12-09 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.676 Å) | Cite: | Receptor-like cytoplasmic kinase ScRIPK in sugarcane regulates disease resistance and drought tolerance in Arabidopsis. Front Plant Sci, 14, 2023
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8HO6
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![BU of 8ho6 by Molmil](/molmil-images/mine/8ho6) | ScRIPK WT | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ScRIPK kinase protein | Authors: | Fang, J.L, Zhang, M.Q. | Deposit date: | 2022-12-09 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Receptor-like cytoplasmic kinase ScRIPK in sugarcane regulates disease resistance and drought tolerance in Arabidopsis. Front Plant Sci, 14, 2023
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8HOD
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![BU of 8hod by Molmil](/molmil-images/mine/8hod) | ScRIPK MUTANT-S253A, T254A | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Hypothetical protein | Authors: | Fang, J.L, Zhang, M.Q. | Deposit date: | 2022-12-09 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Receptor-like cytoplasmic kinase ScRIPK in sugarcane regulates disease resistance and drought tolerance in Arabidopsis. Front Plant Sci, 14, 2023
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7V6A
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![BU of 7v6a by Molmil](/molmil-images/mine/7v6a) | Cry-EM structure of M4-c110-G protein complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Wang, J.J, Wu, M, Wu, L.J, Hua, T, Liu, Z.J, Wang, T. | Deposit date: | 2021-08-20 | Release date: | 2022-05-11 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands. Nat Commun, 13, 2022
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7V69
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![BU of 7v69 by Molmil](/molmil-images/mine/7v69) | Cryo-EM structure of a class A GPCR-G protein complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Wang, J.J, Wu, M, Wu, L.J, Hua, T, Liu, Z.J, Wang, T. | Deposit date: | 2021-08-20 | Release date: | 2022-05-11 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands. Nat Commun, 13, 2022
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7V68
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![BU of 7v68 by Molmil](/molmil-images/mine/7v68) | An Agonist and PAM-bound Class A GPCR with Gi protein complex structure | Descriptor: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Wang, J.J, Wu, L.J, Wu, M, Hua, T, Liu, Z.J, Wang, T. | Deposit date: | 2021-08-20 | Release date: | 2022-05-11 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands. Nat Commun, 13, 2022
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5X16
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![BU of 5x16 by Molmil](/molmil-images/mine/5x16) | Sirt6 apo structure | Descriptor: | GLYCEROL, NAD-dependent protein deacetylase sirtuin-6, TERTIARY-BUTYL ALCOHOL, ... | Authors: | Zhang, J, Huang, Z, Song, K. | Deposit date: | 2017-01-24 | Release date: | 2018-07-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Sirt6 apo structure To Be Published
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8I0C
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![BU of 8i0c by Molmil](/molmil-images/mine/8i0c) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703 | Descriptor: | 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, He, S, Liu, Y, Fang, P, Sun, H. | Deposit date: | 2023-01-10 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment. J.Med.Chem., 66, 2023
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4WUZ
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![BU of 4wuz by Molmil](/molmil-images/mine/4wuz) | Crystal structure of lambda exonuclease in complex with DNA and Ca2+ | Descriptor: | CALCIUM ION, DNA (5'-D(*TP*T*TP*CP*GP*GP*TP*AP*CP*AP*GP*TP*AP*G)-3'), DNA (5'-D(P*AP*GP*CP*TP*AP*CP*TP*GP*TP*AP*CP*CP*GP*A)-3'), ... | Authors: | Zhang, J, Bell, C.E. | Deposit date: | 2014-11-04 | Release date: | 2014-11-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Crystal Structure of lambda Exonuclease in Complex with DNA and Ca(2+). Biochemistry, 53, 2014
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2PH7
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![BU of 2ph7 by Molmil](/molmil-images/mine/2ph7) | Crystal structure of AF2093 from Archaeoglobus fulgidus | Descriptor: | Uncharacterized protein AF_2093 | Authors: | Chang, J.C, Yang, H, Hwang, J, Zhu, J, Chen, L, Fu, Z.-Q, Xu, H, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2007-04-10 | Release date: | 2007-05-08 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of AF2093 from Archaeoglobus fulgidus. To be Published
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4G3H
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![BU of 4g3h by Molmil](/molmil-images/mine/4g3h) | Crystal structure of helicobacter pylori arginase | Descriptor: | Arginase (RocF), MANGANESE (II) ION | Authors: | Zhang, J, Zhang, X, Li, D, Hu, Y, Zou, Q, Wang, D. | Deposit date: | 2012-07-13 | Release date: | 2012-08-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and function studies on Helicobacter pylori arginase To be Published
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6IRG
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![BU of 6irg by Molmil](/molmil-images/mine/6irg) | Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at pH 6.3, Class II | Descriptor: | Glutamate receptor ionotropic, NMDA 1, NMDA 2A | Authors: | Zhang, J, Chang, S, Zhang, X, Zhu, S. | Deposit date: | 2018-11-12 | Release date: | 2019-01-16 | Last modified: | 2019-06-05 | Method: | ELECTRON MICROSCOPY (5.5 Å) | Cite: | Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors Cell Rep, 25, 2018
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7DSY
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![BU of 7dsy by Molmil](/molmil-images/mine/7dsy) | Crystal Structure of RNase L in complex with KM05073 | Descriptor: | 1-chloranyl-3-methylsulfinyl-6,7-dihydro-5H-2-benzothiophen-4-one, 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE, PHOSPHATE ION, ... | Authors: | Tang, J, Huang, H. | Deposit date: | 2021-01-03 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.651 Å) | Cite: | Identification of Small Molecule Inhibitors of RNase L by Fragment-Based Drug Discovery J.Med.Chem., 65, 2022
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7TN1
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![BU of 7tn1 by Molmil](/molmil-images/mine/7tn1) | Multistate design to stabilize viral class I fusion proteins | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0 | Authors: | Huang, J, Banerjee, A, Gonzalez, K, Mousa, J, Strauch, E. | Deposit date: | 2022-01-20 | Release date: | 2023-07-12 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A general computational design strategy for stabilizing viral class I fusion proteins. Nat Commun, 15, 2024
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6IRA
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![BU of 6ira by Molmil](/molmil-images/mine/6ira) | Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at pH 7.8 | Descriptor: | Glutamate receptor ionotropic, NMDA 1, NMDA 2A | Authors: | Zhang, J, Chang, S, Zhang, X, Zhu, S. | Deposit date: | 2018-11-12 | Release date: | 2019-01-16 | Last modified: | 2019-06-05 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors Cell Rep, 25, 2018
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