8JR9
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![BU of 8jr9 by Molmil](/molmil-images/mine/8jr9) | Small molecule agonist (PCO371) bound to human parathyroid hormone receptor type 1 (PTH1R) | 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(s) subunit alpha-1, ... | Authors: | Zhao, L, He, Q, Yuan, Q, Gu, Y, He, X, Shan, H, Li, J, Wang, K, Li, Y, Hu, W, Wu, K, Shen, J, Xu, H.E. | Deposit date: | 2023-06-16 | Release date: | 2023-08-02 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (2.57 Å) | Cite: | Conserved class B GPCR activation by a biased intracellular agonist. Nature, 621, 2023
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2L01
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![BU of 2l01 by Molmil](/molmil-images/mine/2l01) | Solution NMR Structure of protein BVU3908 from Bacteroides vulgatus, Northeast Structural Genomics Consortium Target BvR153 | Descriptor: | Uncharacterized protein | Authors: | Eletsky, A, Lee, C, Wang, K, Ciccosanti, T.B, Hamilton, R, Acton, J.B, Xiao, G.B, Everett, J.K, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-06-29 | Release date: | 2010-08-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of protein BVU3908 from Bacteroides vulgatus To be Published
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4S39
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![BU of 4s39 by Molmil](/molmil-images/mine/4s39) | IspG in complex with HMBPP | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, GLYCEROL, ... | Authors: | Quitterer, F, Frank, A, Wang, K, Guodong, R, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-04-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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4S3C
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![BU of 4s3c by Molmil](/molmil-images/mine/4s3c) | IspG in complex with Epoxide Intermediate | Descriptor: | (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-05-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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4S3E
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![BU of 4s3e by Molmil](/molmil-images/mine/4s3e) | IspG in complex with Inhibitor 7 (compound 1061) | Descriptor: | 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-04-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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4N5Q
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![BU of 4n5q by Molmil](/molmil-images/mine/4n5q) | Crystal structure of the N-terminal ankyrin repeat domain of TRPV3 | Descriptor: | Transient receptor potential cation channel subfamily V member 3 | Authors: | Shi, D.J, Ye, S, Cao, X, Wang, K.W, Zhang, R. | Deposit date: | 2013-10-10 | Release date: | 2014-01-29 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.946 Å) | Cite: | Crystal structure of the N-terminal ankyrin repeat domain of TRPV3 reveals unique conformation of finger 3 loop critical for channel function Protein Cell, 4, 2013
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4S3B
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![BU of 4s3b by Molmil](/molmil-images/mine/4s3b) | IspG in complex with Intermediate II | Descriptor: | (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-04-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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4S3A
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![BU of 4s3a by Molmil](/molmil-images/mine/4s3a) | IspG in complex with Intermediate I | Descriptor: | (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-05-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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4S3D
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![BU of 4s3d by Molmil](/molmil-images/mine/4s3d) | IspG in complex with PPi | Descriptor: | 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, DIPHOSPHATE, FE3-S4 CLUSTER | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-04-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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4S3F
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![BU of 4s3f by Molmil](/molmil-images/mine/4s3f) | IspG in complex with Inhibitor 8 (compound 1077) | Descriptor: | 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, FE3-S4 CLUSTER, but-3-yn-1-yl trihydrogen diphosphate | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | Deposit date: | 2015-01-26 | Release date: | 2015-04-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE). J.Mol.Biol., 427, 2015
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3H6X
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![BU of 3h6x by Molmil](/molmil-images/mine/3h6x) | |
4MV5
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![BU of 4mv5 by Molmil](/molmil-images/mine/4mv5) | IspH in complex with 6-chloropyridin-3-ylmethyl diphosphate | Descriptor: | (6-chloropyridin-3-yl)methyl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER | Authors: | Span, I, Wang, K, Song, Y, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M. | Deposit date: | 2013-09-23 | Release date: | 2014-06-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH. J.Am.Chem.Soc., 136, 2014
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7Y4F
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![BU of 7y4f by Molmil](/molmil-images/mine/7y4f) | bacterial DPP4 | Descriptor: | Dipeptidyl peptidase IV | Authors: | Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J. | Deposit date: | 2022-06-14 | Release date: | 2023-06-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.918 Å) | Cite: | Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target. Science, 381, 2023
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4MUY
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![BU of 4muy by Molmil](/molmil-images/mine/4muy) | IspH in complex with pyridin-4-ylmethyl diphosphate | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER, pyridin-4-ylmethyl trihydrogen diphosphate | Authors: | Span, I, Wang, K, Song, Y, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M. | Deposit date: | 2013-09-23 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH. J.Am.Chem.Soc., 136, 2014
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5XHX
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![BU of 5xhx by Molmil](/molmil-images/mine/5xhx) | |
4MV0
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![BU of 4mv0 by Molmil](/molmil-images/mine/4mv0) | IspH in complex with pyridin-2-ylmethyl diphosphate | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER, pyridin-2-ylmethyl trihydrogen diphosphate | Authors: | Span, I, Wang, K, Song, Y, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M. | Deposit date: | 2013-09-23 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH. J.Am.Chem.Soc., 136, 2014
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8HHT
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![BU of 8hht by Molmil](/molmil-images/mine/8hht) | Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide | Authors: | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | Deposit date: | 2022-11-17 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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8HHU
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![BU of 8hhu by Molmil](/molmil-images/mine/8hhu) | Crystal structure of the SARS-CoV-2 main protease in complex with SY110 | Descriptor: | (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5 | Authors: | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | Deposit date: | 2022-11-17 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.258 Å) | Cite: | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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8P2E
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![BU of 8p2e by Molmil](/molmil-images/mine/8p2e) | |
4OCJ
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![BU of 4ocj by Molmil](/molmil-images/mine/4ocj) | N-acetylhexosamine 1-phosphate kinase in complex with GlcNAc | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, N-acetylhexosamine 1-phosphate kinase, SODIUM ION | Authors: | Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J. | Deposit date: | 2014-01-09 | Release date: | 2014-05-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.571 Å) | Cite: | Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes. Acta Crystallogr.,Sect.D, 70, 2014
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4OCU
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![BU of 4ocu by Molmil](/molmil-images/mine/4ocu) | N-acetylhexosamine 1-phosphate kinase_ATCC15697 in complex with GlcNAc | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, N-acetylhexosamine 1-phosphate kinase, SULFATE ION | Authors: | Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J. | Deposit date: | 2014-01-09 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.904 Å) | Cite: | Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes. Acta Crystallogr.,Sect.D, 70, 2014
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4OCO
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![BU of 4oco by Molmil](/molmil-images/mine/4oco) | N-acetylhexosamine 1-phosphate kinase in complex with GlcNAc-1-phosphate | Descriptor: | 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, N-acetylhexosamine 1-phosphate kinase | Authors: | Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J. | Deposit date: | 2014-01-09 | Release date: | 2014-05-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes. Acta Crystallogr.,Sect.D, 70, 2014
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4OCQ
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![BU of 4ocq by Molmil](/molmil-images/mine/4ocq) | N-acetylhexosamine 1-phosphate kinase in complex with GalNAc | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, N-acetylhexosamine 1-phosphate kinase | Authors: | Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J. | Deposit date: | 2014-01-09 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.878 Å) | Cite: | Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes. Acta Crystallogr.,Sect.D, 70, 2014
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4OCK
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![BU of 4ock by Molmil](/molmil-images/mine/4ock) | N-acetylhexosamine 1-phosphate kinase in complex with GlcNAc and AMPPNP | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, N-acetylhexosamine 1-phosphate kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J. | Deposit date: | 2014-01-09 | Release date: | 2014-05-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes. Acta Crystallogr.,Sect.D, 70, 2014
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4OCP
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![BU of 4ocp by Molmil](/molmil-images/mine/4ocp) | N-acetylhexosamine 1-phosphate kinase in complex with GlcNAc-1-phosphate and ADP | Descriptor: | 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J. | Deposit date: | 2014-01-09 | Release date: | 2014-05-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.938 Å) | Cite: | Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes. Acta Crystallogr.,Sect.D, 70, 2014
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