6DX9
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6DXC
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6BRY
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![BU of 6bry by Molmil](/molmil-images/mine/6bry) | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 6a | Descriptor: | 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2017-12-01 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy. J. Med. Chem., 61, 2018
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6BRF
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![BU of 6brf by Molmil](/molmil-images/mine/6brf) | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4b | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine, CALCIUM ION, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2017-11-30 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy. J. Med. Chem., 61, 2018
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6E6Q
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![BU of 6e6q by Molmil](/molmil-images/mine/6e6q) | 1.20 A resolution structure of the C-terminally truncated [2Fe-2S] ferredoxin (Bfd) from Pseudomonas aeruginosa | Descriptor: | Bacterioferritin-associated ferredoxin, FE2/S2 (INORGANIC) CLUSTER | Authors: | Lovell, S, Wijerathne, H, Battaile, K.P, Yao, H, Wang, Y, Rivera, M. | Deposit date: | 2018-07-25 | Release date: | 2018-09-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Bfd, a New Class of [2Fe-2S] Protein That Functions in Bacterial Iron Homeostasis, Requires a Structural Anion Binding Site. Biochemistry, 57, 2018
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6DXB
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4LEJ
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![BU of 4lej by Molmil](/molmil-images/mine/4lej) | Crystal Structure of the Korean pine (Pinus koraiensis) vicilin | Descriptor: | COPPER (II) ION, GLYCEROL, PHOSPHATE ION, ... | Authors: | Jin, T.C, Wang, Y, Zhang, Y.Z. | Deposit date: | 2013-06-25 | Release date: | 2014-01-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Crystal Structure of Korean Pine ( Pinus koraiensis ) 7S Seed Storage Protein with Copper Ligands. J.Agric.Food Chem., 62, 2014
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6E6R
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![BU of 6e6r by Molmil](/molmil-images/mine/6e6r) | 1.50 A resolution structure of the C-terminally truncated [2Fe-2S] ferredoxin (Bfd) R26E mutant from Pseudomonas aeruginosa | Descriptor: | Bacterioferritin-associated ferredoxin, FE2/S2 (INORGANIC) CLUSTER | Authors: | Lovell, S, Wijerathne, H, Battaile, K.P, Yao, H, Wang, Y, Rivera, M. | Deposit date: | 2018-07-25 | Release date: | 2018-09-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Bfd, a New Class of [2Fe-2S] Protein That Functions in Bacterial Iron Homeostasis, Requires a Structural Anion Binding Site. Biochemistry, 57, 2018
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6DXA
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6E6S
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![BU of 6e6s by Molmil](/molmil-images/mine/6e6s) | 1.45 A resolution structure of the C-terminally truncated [2Fe-2S] ferredoxin (Bfd) R26E/K46Y mutant from Pseudomonas aeruginosa | Descriptor: | Bacterioferritin-associated ferredoxin, FE2/S2 (INORGANIC) CLUSTER | Authors: | Lovell, S, Wijerathne, H, Battaile, K.P, Yao, H, Wang, Y, Rivera, M. | Deposit date: | 2018-07-25 | Release date: | 2018-09-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Bfd, a New Class of [2Fe-2S] Protein That Functions in Bacterial Iron Homeostasis, Requires a Structural Anion Binding Site. Biochemistry, 57, 2018
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6EG5
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![BU of 6eg5 by Molmil](/molmil-images/mine/6eg5) | The structure of SB-1-202-tubulin complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | Authors: | Banerjee, A.K, Wang, Y, Chen, H, Miller, D, Li, W. | Deposit date: | 2018-08-18 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The structure of SB-1-202/SB-2-204-tubulin complex To Be Published
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6DXF
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5CJ6
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![BU of 5cj6 by Molmil](/molmil-images/mine/5cj6) | Crystal Structure of a Selective Androgen Receptor Modulator Bound to the Ligand Binding Domain of the Human Androgen Receptor | Descriptor: | 2-chloro-4-{[(1R,2R)-2-hydroxy-2-methylcyclopentyl]amino}-3-methylbenzonitrile, Androgen receptor, small peptide | Authors: | Luz, J.G, Saeed, A, Wang, Y. | Deposit date: | 2015-07-14 | Release date: | 2016-01-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | 2-Chloro-4-[[(1R,2R)-2-hydroxy-2-methyl-cyclopentyl]amino]-3-methyl-benzonitrile: A Transdermal Selective Androgen Receptor Modulator (SARM) for Muscle Atrophy. J.Med.Chem., 59, 2016
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4J1R
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![BU of 4j1r by Molmil](/molmil-images/mine/4j1r) | Crystal Structure of GSK3b in complex with inhibitor 15R | Descriptor: | (2R)-2-(1H-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION, ... | Authors: | Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-02-01 | Release date: | 2013-03-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.702 Å) | Cite: | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor To be Published
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8YZ7
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4J71
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![BU of 4j71 by Molmil](/molmil-images/mine/4j71) | Crystal Structure of GSK3b in complex with inhibitor 1R | Descriptor: | (2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, CHLORIDE ION, Glycogen synthase kinase-3 beta, ... | Authors: | Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-02-12 | Release date: | 2013-03-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor To be Published
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8FXT
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![BU of 8fxt by Molmil](/molmil-images/mine/8fxt) | Escherichia coli periplasmic Glucose-Binding Protein glucose complex: Acrylodan conjugate attached at W183C | Descriptor: | 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one, CALCIUM ION, D-galactose/methyl-galactoside binding periplasmic protein MglB, ... | Authors: | Allert, M.J, Kumar, S, Wang, Y, Beese, L.S, Hellinga, H.W. | Deposit date: | 2023-01-25 | Release date: | 2023-08-30 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Chromophore carbonyl twisting in fluorescent biosensors encodes direct readout of protein conformations with multicolor switching. Commun Chem, 6, 2023
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8FDU
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![BU of 8fdu by Molmil](/molmil-images/mine/8fdu) | Engineered human dynein motor domain in the microtubule-unbound state with LIS1 complex in the buffer containing ATP-Vi (local refined on AAA3-AAA5 and LIS1) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cytoplasmic dynein 1 heavy chain 1,Serine--tRNA ligase, Platelet-activating factor acetylhydrolase IB subunit beta,Platelet-activating factor acetylhydrolase IB subunit beta,human LIS1 protein with a SNAP tag | Authors: | Ton, W, Wang, Y, Chai, P. | Deposit date: | 2022-12-04 | Release date: | 2023-06-21 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Microtubule-binding-induced allostery triggers LIS1 dissociation from dynein prior to cargo transport. Nat.Struct.Mol.Biol., 30, 2023
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8FCY
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![BU of 8fcy by Molmil](/molmil-images/mine/8fcy) | Engineered human dynein motor domain in microtubule-bound state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cytoplasmic dynein 1 heavy chain 1,Serine--tRNA ligase | Authors: | Ton, W, Wang, Y, Chai, P. | Deposit date: | 2022-12-01 | Release date: | 2023-06-21 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Microtubule-binding-induced allostery triggers LIS1 dissociation from dynein prior to cargo transport. Nat.Struct.Mol.Biol., 30, 2023
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8FD6
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![BU of 8fd6 by Molmil](/molmil-images/mine/8fd6) | Engineered human dynein motor domain in the microtubule-unbound state in the buffer containing ATP-Vi | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cytoplasmic dynein 1 heavy chain 1,Serine--tRNA ligase, ... | Authors: | Ton, W, Wang, Y, Chai, P. | Deposit date: | 2022-12-02 | Release date: | 2023-06-21 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Microtubule-binding-induced allostery triggers LIS1 dissociation from dynein prior to cargo transport. Nat.Struct.Mol.Biol., 30, 2023
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8FDT
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![BU of 8fdt by Molmil](/molmil-images/mine/8fdt) | Engineered human dynein motor domain in the microtubule-unbound state with LIS1 complex in the buffer containing ATP-Vi | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cytoplasmic dynein 1 heavy chain 1,Serine--tRNA ligase, ... | Authors: | Ton, W, Wang, Y, Chai, P. | Deposit date: | 2022-12-04 | Release date: | 2023-06-21 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Microtubule-binding-induced allostery triggers LIS1 dissociation from dynein prior to cargo transport. Nat.Struct.Mol.Biol., 30, 2023
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7MWX
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![BU of 7mwx by Molmil](/molmil-images/mine/7mwx) | Structure of the core ectodomain of the hepatitis C virus envelope glycoprotein 2 with tamarin CD81 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2A12 Fab Heavy Chain, ... | Authors: | Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J. | Deposit date: | 2021-05-17 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | Structural insights into hepatitis C virus receptor binding and entry. Nature, 598, 2021
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7MWS
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![BU of 7mws by Molmil](/molmil-images/mine/7mws) | Crystal structure of tamarin CD81 large extracellular loop | Descriptor: | CD81 protein, GLYCEROL, TETRAETHYLENE GLYCOL | Authors: | Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J. | Deposit date: | 2021-05-17 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into hepatitis C virus receptor binding and entry. Nature, 598, 2021
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7MWW
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![BU of 7mww by Molmil](/molmil-images/mine/7mww) | Structure of hepatitis C virus envelope full-length glycoprotein 2 (eE2) from J6 genotype | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2A12 Fab Heavy chain, ... | Authors: | Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J. | Deposit date: | 2021-05-17 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structural insights into hepatitis C virus receptor binding and entry. Nature, 598, 2021
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8G83
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![BU of 8g83 by Molmil](/molmil-images/mine/8g83) | Structure of NAD+ consuming protein Acinetobacter baumannii TIR domain | Descriptor: | NAD(+) hydrolase AbTIR | Authors: | Klontz, E.H, Wang, Y, Glendening, G, Carr, J, Tsibouris, T, Buddula, S, Nallar, S, Soares, A, Snyder, G.A. | Deposit date: | 2023-02-17 | Release date: | 2023-10-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | The structure of NAD + consuming protein Acinetobacter baumannii TIR domain shows unique kinetics and conformations. J.Biol.Chem., 299, 2023
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