8JHY
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![BU of 8jhy by Molmil](/molmil-images/mine/8jhy) | Cryo-EM structure of compound 9n bound ketone body receptor HCAR2-Gi signaling complex | Descriptor: | 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H. | Deposit date: | 2023-05-25 | Release date: | 2023-09-06 | Last modified: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation. Mol.Cell, 83, 2023
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8JIM
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![BU of 8jim by Molmil](/molmil-images/mine/8jim) | Cryo-EM structure of MMF bound ketone body receptor HCAR2-Gi signaling complex | Descriptor: | (2Z)-4-methoxy-4-oxobut-2-enoic acid, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H. | Deposit date: | 2023-05-26 | Release date: | 2023-09-06 | Last modified: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation. Mol.Cell, 83, 2023
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3JA5
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1H9M
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![BU of 1h9m by Molmil](/molmil-images/mine/1h9m) | Two crystal structures of the cytoplasmic molybdate-binding protein ModG suggest a novel cooperative binding mechanism and provide insights into ligand-binding specificity. PEG-grown form with molybdate bound | Descriptor: | MOLYBDATE ION, MOLYBDENUM-BINDING-PROTEIN | Authors: | Delarbre, L, Stevenson, C.E.M, White, D.J, Mitchenall, L.A, Pau, R.N, Lawson, D.M. | Deposit date: | 2001-03-13 | Release date: | 2001-05-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest a Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity J.Mol.Biol., 308, 2001
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5ZVS
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![BU of 5zvs by Molmil](/molmil-images/mine/5zvs) | |
4LO8
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![BU of 4lo8 by Molmil](/molmil-images/mine/4lo8) | HA70(D3)-HA17 | Descriptor: | HA-17, HA-70 | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | Deposit date: | 2013-07-12 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog., 9, 2013
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2BM5
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![BU of 2bm5 by Molmil](/molmil-images/mine/2bm5) | The Structure of MfpA (Rv3361c, P21 Crystal form). The Pentapeptide Repeat Protein from Mycobacterium tuberculosis Folds as A Right- handed Quadrilateral Beta-helix. | Descriptor: | PENTAPEPTIDE REPEAT FAMILY PROTEIN, SULFATE ION | Authors: | Hegde, S.S, Vetting, M.W, Roderick, S.L, Mitchenall, L.A, Maxwell, A, Takiff, H.E, Blanchard, J.S. | Deposit date: | 2005-03-09 | Release date: | 2005-06-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Fluroquinolone Resistance Protein from Mycobacterium Tuberculosis that Mimics DNA Science, 308, 2005
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2BM6
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![BU of 2bm6 by Molmil](/molmil-images/mine/2bm6) | The Structure of MfpA (Rv3361c, C2221 Crystal form). The Pentapeptide Repeat Protein from Mycobacterium tuberculosis Folds as A Right- handed Quadrilateral Beta-helix. | Descriptor: | CESIUM ION, PENTAPEPTIDE REPEAT FAMILY PROTEIN | Authors: | Hegde, S.S, Vetting, M.W, Roderick, S.L, Mitchenall, L.A, Maxwell, A, Takiff, H.E, Blanchard, J.S. | Deposit date: | 2005-03-09 | Release date: | 2005-06-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Fluroquinolone Resistance Protein from Mycobacterium Tuberculosis that Mimics DNA Science, 308, 2005
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2BM4
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![BU of 2bm4 by Molmil](/molmil-images/mine/2bm4) | The Structure of MfpA (Rv3361c, C2 Crystal form). The Pentapeptide Repeat Protein from Mycobacterium tuberculosis Folds as A Right- handed Quadrilateral Beta-helix. | Descriptor: | PENTAPEPTIDE REPEAT FAMILY PROTEIN | Authors: | Hegde, S.S, Vetting, M.W, Roderick, S.L, Mitchenall, L.A, Maxwell, A, Takiff, H.E, Blanchard, J.S. | Deposit date: | 2005-03-09 | Release date: | 2005-06-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Fluroquinolone Resistance Protein from Mycobacterium Tuberculosis that Mimics DNA Science, 308, 2005
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2BM7
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![BU of 2bm7 by Molmil](/molmil-images/mine/2bm7) | The Structure of MfpA (Rv3361c, P3221 Crystal form). The Pentapeptide Repeat Protein from Mycobacterium tuberculosis Folds as A Right- handed Quadrilateral Beta-helix. | Descriptor: | PENTAPEPTIDE REPEAT FAMILY PROTEIN | Authors: | Hegde, S.S, Vetting, M.W, Roderick, S.L, Mitchenall, L.A, Maxwell, A, Takiff, H.E, Blanchard, J.S. | Deposit date: | 2005-03-09 | Release date: | 2005-06-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A Fluroquinolone Resistance Protein from Mycobacterium Tuberculosis that Mimics DNA Science, 308, 2005
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1ATG
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![BU of 1atg by Molmil](/molmil-images/mine/1atg) | AZOTOBACTER VINELANDII PERIPLASMIC MOLYBDATE-BINDING PROTEIN | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, PERIPLASMIC MOLYBDATE-BINDING PROTEIN, ... | Authors: | Lawson, D.M, Pau, R.N, Williams, C.E.M, Mitchenall, L.A. | Deposit date: | 1997-08-14 | Release date: | 1998-10-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Ligand size is a major determinant of specificity in periplasmic oxyanion-binding proteins: the 1.2 A resolution crystal structure of Azotobacter vinelandii ModA. Structure, 6, 1998
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1H9K
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![BU of 1h9k by Molmil](/molmil-images/mine/1h9k) | Two crystal structures of the cytoplasmic molybdate-binding protein ModG suggest a novel cooperative binding mechanism and provide insights into ligand-binding specificity. Phosphate-grown form with tungstate and phosphate bound | Descriptor: | MOLYBDENUM-BINDING-PROTEIN, PHOSPHATE ION, TUNGSTATE(VI)ION | Authors: | Delarbre, L, Stevenson, C.E.M, White, D.J, Mitchenall, L.A, Pau, R.N, Lawson, D.M. | Deposit date: | 2001-03-13 | Release date: | 2001-05-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest a Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity J.Mol.Biol., 308, 2001
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1H9J
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![BU of 1h9j by Molmil](/molmil-images/mine/1h9j) | Two crystal structures of the cytoplasmic molybdate-binding protein ModG suggest a novel cooperative binding mechanism and provide insights into ligand-binding specificity. Phosphate-grown form with molybdate and phosphate bound | Descriptor: | MOLYBDATE ION, MOLYBDENUM-BINDING-PROTEIN, PHOSPHATE ION | Authors: | Delarbre, L, Stevenson, C.E.M, White, D.J, Mitchenall, L.A, Pau, R.N, Lawson, D.M. | Deposit date: | 2001-03-13 | Release date: | 2001-05-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest a Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity J.Mol.Biol., 308, 2001
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4LO6
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![BU of 4lo6 by Molmil](/molmil-images/mine/4lo6) | HA70-alpha2,6-SiaLC | Descriptor: | CHLORIDE ION, HA-70, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | Deposit date: | 2013-07-12 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog., 9, 2013
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4LO7
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![BU of 4lo7 by Molmil](/molmil-images/mine/4lo7) | HA70(D3)-HA17-HA33 | Descriptor: | HA-17, HA-33, HA-70 | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | Deposit date: | 2013-07-12 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.73 Å) | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog., 9, 2013
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4LO0
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![BU of 4lo0 by Molmil](/molmil-images/mine/4lo0) | Apo HA17-HA33 | Descriptor: | HA-17, HA-33 | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | Deposit date: | 2013-07-12 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.055 Å) | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog., 9, 2013
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4LO2
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![BU of 4lo2 by Molmil](/molmil-images/mine/4lo2) | HA17-HA33-Lac | Descriptor: | HA-17, HA-33, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | Deposit date: | 2013-07-12 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.254 Å) | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog., 9, 2013
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4LO4
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![BU of 4lo4 by Molmil](/molmil-images/mine/4lo4) | Apo HA-70 | Descriptor: | CHLORIDE ION, HA-70 | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | Deposit date: | 2013-07-12 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.871 Å) | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog., 9, 2013
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4LO1
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![BU of 4lo1 by Molmil](/molmil-images/mine/4lo1) | HA17-HA33-Gal | Descriptor: | HA-17, HA-33, beta-D-galactopyranose | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | Deposit date: | 2013-07-12 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.254 Å) | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog., 9, 2013
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4LO3
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![BU of 4lo3 by Molmil](/molmil-images/mine/4lo3) | HA17-HA33-LacNac | Descriptor: | HA-17, HA-33, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | Deposit date: | 2013-07-12 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog., 9, 2013
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4LO5
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![BU of 4lo5 by Molmil](/molmil-images/mine/4lo5) | HA70-alpha2,3-SiaLC | Descriptor: | CHLORIDE ION, HA-70, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | Deposit date: | 2013-07-12 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog., 9, 2013
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4RN5
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![BU of 4rn5 by Molmil](/molmil-images/mine/4rn5) | B1 domain of human Neuropilin-1 with acetate ion in a ligand-binding site | Descriptor: | ACETATE ION, GLYCEROL, Neuropilin-1, ... | Authors: | Allerston, C.K, Yelland, T.S, Jarvis, A, Jenkins, K, Winfield, N, Cheng, L, Jia, H, Zachary, I, Selwood, D.L, Djordjevic, S. | Deposit date: | 2014-10-23 | Release date: | 2015-10-28 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Conserved water molecules in a ligand-binding site of neuropilin-1 To be Published
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6WE2
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![BU of 6we2 by Molmil](/molmil-images/mine/6we2) | Human PARP14 (ARTD8), catalytic fragment in complex with RBN012759 | Descriptor: | 1,2-ETHANEDIOL, 7-(cyclopropylmethoxy)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one, Isoform 1 of Protein mono-ADP-ribosyltransferase PARP14 | Authors: | Swinger, K.K, Schenkel, L.B, Kuntz, K.W. | Deposit date: | 2020-04-01 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | A potent and selective PARP14 inhibitor decreases protumor macrophage gene expression and elicits inflammatory responses in tumor explants. Cell Chem Biol, 28, 2021
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6RIO
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![BU of 6rio by Molmil](/molmil-images/mine/6rio) | Imidazole Polyamide-DNA complex NMR structure (5'-CGATGTACATCG-3') | Descriptor: | 3-[3-[[4-[[4-[[4-[[4-[[(2~{R})-2-azaniumyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoyl]amino]-1-methyl-imidazol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]propanoylamino]propyl-dimethyl-azanium, DNA (5'-(*(DC5)P*GP*AP*TP*GP*TP*AP*CP*AP*TP*CP*(DG3))-3') | Authors: | Padroni, G, Withers, J.M, Taladriz-Sender, A, Reichenbach, L.F, Parkinson, J.A, Burley, G.A. | Deposit date: | 2019-04-24 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Sequence-Selective Minor Groove Recognition of a DNA Duplex Containing Synthetic Genetic Components. J.Am.Chem.Soc., 141, 2019
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4CIK
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![BU of 4cik by Molmil](/molmil-images/mine/4cik) | plasminogen kringle 1 in complex with inhibitor | Descriptor: | 5-[(2R,4S)-2-(phenylmethyl)piperidin-4-yl]-1,2-oxazol-3-one, PLASMINOGEN | Authors: | Xue, Y, Johansson, C, Cheng, L, Pettersen, D, Gustafsson, D. | Deposit date: | 2013-12-10 | Release date: | 2014-06-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Discovery of the Fibrinolysis Inhibitor Azd6564, Acting Via Interference of a Protein-Protein Interaction. Acs Med.Chem.Lett., 5, 2014
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