6A2D
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![BU of 6a2d by Molmil](/molmil-images/mine/6a2d) | Crystal structure of a synthase 2 from santalum album in complex with ligand1 | Descriptor: | MAGNESIUM ION, Sesquisabinene B synthase 2, [bis(chloranyl)-[oxidanyl-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]phosphoryl]methyl]phosphonic acid | Authors: | Han, X, Ko, T.P, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2018-06-10 | Release date: | 2019-06-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal structure of a synthase 2 from santalum album To be published
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5ZZ3
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![BU of 5zz3 by Molmil](/molmil-images/mine/5zz3) | Crystal structure of intracellular B30.2 domain of BTN3A3 | Descriptor: | Butyrophilin, subfamily 3, member A3 isoform b variant | Authors: | Yang, Y.Y, Li, X, Liu, W.D, Chen, C.C, Guo, R.T, Zhang, Y.H. | Deposit date: | 2018-05-30 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation. Immunity, 50, 2019
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6A98
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![BU of 6a98 by Molmil](/molmil-images/mine/6a98) | Crystal structure of a cyclase from Fischerella sp. TAU | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, aromatic prenyltransferase, ... | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-07-12 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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6A2C
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![BU of 6a2c by Molmil](/molmil-images/mine/6a2c) | Crystal structure of a synthase 2 from santalum album in complex with lig2 | Descriptor: | FARNESYL DIPHOSPHATE, MAGNESIUM ION, Sesquisabinene B synthase 2 | Authors: | Han, X, Ko, T.P, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2018-06-10 | Release date: | 2019-06-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal structure of a synthase 2 from santalum album in complex with lig2 To be published
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6A0W
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![BU of 6a0w by Molmil](/molmil-images/mine/6a0w) | Crystal structure of lipase from Rhizopus microsporus var. chinensis | Descriptor: | Lipase, SULFATE ION | Authors: | Zhang, M, Yu, X.W, Xu, Y, Huang, C.H, Guo, R.T. | Deposit date: | 2018-06-06 | Release date: | 2019-10-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis by Which the N-Terminal Polypeptide Segment ofRhizopus chinensisLipase Regulates Its Substrate Binding Affinity. Biochemistry, 58, 2019
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6A8X
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![BU of 6a8x by Molmil](/molmil-images/mine/6a8x) | Crystal structure of a apo form cyclase from Fischerella sp. | Descriptor: | CALCIUM ION, aromatic prenyltransferase | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-07-11 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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5ZZD
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![BU of 5zzd by Molmil](/molmil-images/mine/5zzd) | Crystal structure of a protein from Aspergillus flavus | Descriptor: | O-methyltransferase lepI, S-ADENOSYLMETHIONINE | Authors: | Chang, Z.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-05-31 | Release date: | 2019-06-05 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of LepI, a multifunctional SAM-dependent enzyme which catalyzes pericyclic reactions in leporin biosynthesis. Org.Biomol.Chem., 17, 2019
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6A92
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![BU of 6a92 by Molmil](/molmil-images/mine/6a92) | Crystal structure of a cyclase Filc1 from Fischerella sp. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, TETRAETHYLENE GLYCOL, ... | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-07-11 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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6A2A
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![BU of 6a2a by Molmil](/molmil-images/mine/6a2a) | Crystal structure of a synthase 2 from santalum album | Descriptor: | Sesquisabinene B synthase 2 | Authors: | Han, X, Ko, T.P, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2018-06-09 | Release date: | 2019-06-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Crystal structure of a synthase 2 from santalum album to be published
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5ZXA
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![BU of 5zxa by Molmil](/molmil-images/mine/5zxa) | Crystal structure of fibronectin-binding protein Apa mutant from Mycobacterium tuberculosis | Descriptor: | Alanine and proline-rich secreted protein Apa, GLYCEROL, MERCURY (II) ION | Authors: | Gao, J, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-05-18 | Release date: | 2019-05-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Functional and structural investigations of fibronectin-binding protein Apa from Mycobacterium tuberculosis. Biochim Biophys Acta Gen Subj, 1863, 2019
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5ZZJ
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![BU of 5zzj by Molmil](/molmil-images/mine/5zzj) | |
6A1D
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![BU of 6a1d by Molmil](/molmil-images/mine/6a1d) | Crystal structure of a synthase 1 from Santalum album in complex with ligand | Descriptor: | MAGNESIUM ION, SULFATE ION, Sesquisabinene B synthase 1, ... | Authors: | Han, X, Ko, T.P, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-06-07 | Release date: | 2019-06-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal structure of a synthase 1 from Santalum album in complex with ligand To Be Published
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5ZX9
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![BU of 5zx9 by Molmil](/molmil-images/mine/5zx9) | Crystal structure of apo form fibronectin-binding protein Apa from Mycobacterium tuberculosis | Descriptor: | Alanine and proline-rich secreted protein Apa, GLYCEROL | Authors: | Gao, J, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-05-18 | Release date: | 2019-05-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Functional and structural investigations of fibronectin-binding protein Apa from Mycobacterium tuberculosis. Biochim Biophys Acta Gen Subj, 1863, 2019
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5ZXK
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![BU of 5zxk by Molmil](/molmil-images/mine/5zxk) | Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with HMBPP | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A1 | Authors: | Yang, Y.Y, Liu, W.D, Chen, C.C, Guo, R.T, Zhang, Y.H. | Deposit date: | 2018-05-21 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation. Immunity, 50, 2019
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6A1E
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![BU of 6a1e by Molmil](/molmil-images/mine/6a1e) | Crystal structure of a synthase 1 from Santalum album in complex with ligand fps | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBONATE ION, GLYCEROL, ... | Authors: | Han, X, Ko, T.P, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-06-07 | Release date: | 2019-06-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal structure of a synthase 1 from Santalum album in complex with ligand To Be Published
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6A3X
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![BU of 6a3x by Molmil](/molmil-images/mine/6a3x) | Crystal structure of a synthase 1 from Santalum album in complex with ligand s | Descriptor: | SULFATE ION, Sabinene, Sesquisabinene B synthase 1 | Authors: | Han, X, Ko, T.P, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-06-18 | Release date: | 2019-06-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of a synthase 1 from Santalum album in complex with ligand s To Be Published
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6A9F
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![BU of 6a9f by Molmil](/molmil-images/mine/6a9f) | Crystal structure of a cyclase from Fischerella sp. TAU in complex with 4-(1H-Indol-3-yl)butan-2-one | Descriptor: | 4-(1~{H}-indol-3-yl)butan-2-one, CALCIUM ION, GLYCEROL, ... | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-07-13 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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6A99
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![BU of 6a99 by Molmil](/molmil-images/mine/6a99) | Crystal structure of a Stig cyclases Fisc from Fischerella sp. TAU in complex with (3Z)-3-(1-methyl-2-pyrrolidinylidene)-3H-indole | Descriptor: | (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-07-12 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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6ADU
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![BU of 6adu by Molmil](/molmil-images/mine/6adu) | Crystal structure of an enzyme in complex with ligand C | Descriptor: | (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Tan, X.K, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-08-02 | Release date: | 2019-08-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement. Angew.Chem.Int.Ed.Engl., 57, 2018
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6B73
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![BU of 6b73 by Molmil](/molmil-images/mine/6b73) | Crystal Structure of a nanobody-stabilized active state of the kappa-opioid receptor | Descriptor: | CHOLESTEROL, N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide, Nanobody, ... | Authors: | Che, T, Majumdar, S, Zaidi, S.A, Kormos, C, McCorvy, J.D, Wang, S, Mosier, P.D, Uprety, R, Vardy, E, Krumm, B.E, Han, G.W, Lee, M.Y, Pardon, E, Steyaert, J, Huang, X.P, Strachan, R.T, Tribo, A.R, Pasternak, G.W, Carroll, I.F, Stevens, R.C, Cherezov, V, Katritch, V, Wacker, D, Roth, B.L. | Deposit date: | 2017-10-03 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor. Cell, 172, 2018
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6BQC
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![BU of 6bqc by Molmil](/molmil-images/mine/6bqc) | Cyclopropane fatty acid synthase from E. coli | Descriptor: | (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE, CARBONATE ION, Cyclopropane-fatty-acyl-phospholipid synthase, ... | Authors: | Hari, S.B, Grant, R.A, Sauer, R.T. | Deposit date: | 2017-11-27 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.073 Å) | Cite: | Structural and Functional Analysis of E. coli Cyclopropane Fatty Acid Synthase. Structure, 26, 2018
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6C8X
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![BU of 6c8x by Molmil](/molmil-images/mine/6c8x) | Wild-type HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | Authors: | Windsor, I.W, Raines, R.T, Forest, K.T. | Deposit date: | 2018-01-25 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.613 Å) | Cite: | Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid. J. Am. Chem. Soc., 140, 2018
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6BRA
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![BU of 6bra by Molmil](/molmil-images/mine/6bra) | |
6C8Y
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![BU of 6c8y by Molmil](/molmil-images/mine/6c8y) | D30N HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | Authors: | Windsor, I.W, Raines, R.T, Forest, K.T. | Deposit date: | 2018-01-25 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.942 Å) | Cite: | Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid. J. Am. Chem. Soc., 140, 2018
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5ZE6
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![BU of 5ze6 by Molmil](/molmil-images/mine/5ze6) | CRYSTAL STRUCTURE OF OCTAPRENYL PYROPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI WITH BPH-981 | Descriptor: | 2-hydroxy-6-(tetradecyloxy)benzoic acid, MAGNESIUM ION, Octaprenyl diphosphate synthase | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T. | Deposit date: | 2018-02-26 | Release date: | 2019-02-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis. J.Med.Chem., 62, 2019
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