2PMB
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![BU of 2pmb by Molmil](/molmil-images/mine/2pmb) | Crystal structure of predicted nucleotide-binding protein from Vibrio cholerae | Descriptor: | GLYCEROL, PHOSPHATE ION, Uncharacterized protein | Authors: | Patskovsky, Y, Zhan, C, Shi, W, Toro, R, Sauder, J.M, Gilmore, J, Iizuka, M, Maletic, M, Gheyi, T, Wasserman, S.R, Smith, D, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-04-20 | Release date: | 2007-05-08 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal Structure of Predicted Nucleotide-Binding Protein from Vibrio Cholerae. To be Published
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5F6D
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![BU of 5f6d by Molmil](/molmil-images/mine/5f6d) | Crystal structure of Ubc9 (K48A/K49A/E54A) complexed with Fragment 6 | Descriptor: | 6~{H}-benzo[c][1,2]benzothiazine 5,5-dioxide, SUMO-conjugating enzyme UBC9 | Authors: | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | Deposit date: | 2015-12-05 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.553 Å) | Cite: | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
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4P08
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![BU of 4p08 by Molmil](/molmil-images/mine/4p08) | Engineered thermostable dimeric cocaine esterase | Descriptor: | Cocaine esterase | Authors: | Rodgers, D.W, Chow, K.-M, Fang, L, Zhan, C.-G. | Deposit date: | 2014-02-20 | Release date: | 2014-07-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.341 Å) | Cite: | Rational design, preparation, and characterization of a therapeutic enzyme mutant with improved stability and function for cocaine detoxification. Acs Chem.Biol., 9, 2014
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4KGG
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![BU of 4kgg by Molmil](/molmil-images/mine/4kgg) | Crystal structure of light mutant2 and dcr3 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Tumor necrosis factor ligand superfamily member 14, ... | Authors: | Liu, W, Bonanno, J.B, Zhan, C, Kumar, P.R, Toro, R, Nathenson, S.G, Almo, S.C, Atoms-to-Animals: The Immune Function Network (IFN), New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-04-29 | Release date: | 2013-08-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Mechanistic basis for functional promiscuity in the TNF and TNF receptor superfamilies: structure of the LIGHT:DcR3 assembly. Structure, 22, 2014
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4MSV
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![BU of 4msv by Molmil](/molmil-images/mine/4msv) | Crystal structure of FASL and DcR3 complex | Descriptor: | GLYCEROL, MAGNESIUM ION, Tumor necrosis factor ligand superfamily member 6, ... | Authors: | Liu, W, Ramagopal, U.A, Zhan, C, Bonanno, J.B, Bhosle, R.C, Nathenson, S.G, Almo, S.C, Atoms-to-Animals: The Immune Function Network (IFN), New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-09-18 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the Complex of Human FasL and Its Decoy Receptor DcR3. Structure, 24, 2016
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4KG8
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![BU of 4kg8 by Molmil](/molmil-images/mine/4kg8) | Crystal structure of light mutant | Descriptor: | Tumor necrosis factor ligand superfamily member 14 | Authors: | Liu, W, Zhan, C, Kumar, P.R, Bonanno, J.B, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2013-04-28 | Release date: | 2013-08-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Mechanistic basis for functional promiscuity in the TNF and TNF receptor superfamilies: structure of the LIGHT:DcR3 assembly. Structure, 22, 2014
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4KGQ
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![BU of 4kgq by Molmil](/molmil-images/mine/4kgq) | Crystal structure of a human light loop mutant in complex with dcr3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Tumor necrosis factor ligand superfamily member 14, ... | Authors: | Liu, W, Zhan, C, Bonanno, J.B, Sampathkumar, P, Toro, R, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2013-04-29 | Release date: | 2013-07-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Mechanistic basis for functional promiscuity in the TNF and TNF receptor superfamilies: structure of the LIGHT:DcR3 assembly. Structure, 22, 2014
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5F6W
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![BU of 5f6w by Molmil](/molmil-images/mine/5f6w) | Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 1 (biphenol) | Descriptor: | 2-(2-hydroxyphenyl)phenol, SUMO-conjugating enzyme UBC9 | Authors: | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | Deposit date: | 2015-12-07 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
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5F6V
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![BU of 5f6v by Molmil](/molmil-images/mine/5f6v) | Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 1 (biphenol from fragment cocktail screen) | Descriptor: | 2-(2-hydroxyphenyl)phenol, SUMO-conjugating enzyme UBC9 | Authors: | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | Deposit date: | 2015-12-07 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.492 Å) | Cite: | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
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5F6X
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![BU of 5f6x by Molmil](/molmil-images/mine/5f6x) | Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 2 (mercaptobenzoxazole from cocktail screen) | Descriptor: | 5-chloranyl-3~{H}-1,3-benzoxazole-2-thione, SUMO-conjugating enzyme UBC9 | Authors: | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | Deposit date: | 2015-12-07 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
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5F6E
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![BU of 5f6e by Molmil](/molmil-images/mine/5f6e) | Crystal Structure of human Ubc9 (K48A/K49A/E54A) | Descriptor: | 1,2-ETHANEDIOL, SUMO-conjugating enzyme UBC9 | Authors: | Lountos, G.T, Hewitt, W.M, Zlotkowski, Z, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | Deposit date: | 2015-12-05 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
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5F6U
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![BU of 5f6u by Molmil](/molmil-images/mine/5f6u) | Crystal Structure of Ubc9 (K48A/K49A/E54A) complexed with Fragment 8 (JSS190B146) | Descriptor: | SUMO-conjugating enzyme UBC9, ethyl 3-[4-(2-hydroxyphenyl)-3-oxidanyl-phenyl]propanoate | Authors: | Lountos, G.T, Hewitt, W.M, Zlotkowski, Z, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | Deposit date: | 2015-12-07 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.552 Å) | Cite: | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
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5F6Y
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![BU of 5f6y by Molmil](/molmil-images/mine/5f6y) | Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 2 (mercaptobenzoxazole) | Descriptor: | 5-chloranyl-3~{H}-1,3-benzoxazole-2-thione, SUMO-conjugating enzyme UBC9 | Authors: | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | Deposit date: | 2015-12-07 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
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5ZNL
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![BU of 5znl by Molmil](/molmil-images/mine/5znl) | Crystal structure of PDE10A catalytic domain complexed with LHB-6 | Descriptor: | MAGNESIUM ION, N-[2-(7-methoxy-4-morpholin-4-yl-quinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine, ZINC ION, ... | Authors: | Li, Z, Huang, Y, Zhan, C.G, Luo, H.B. | Deposit date: | 2018-04-09 | Release date: | 2019-02-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Absolute Binding Free Energy Calculation and Design of a Subnanomolar Inhibitor of Phosphodiesterase-10. J. Med. Chem., 62, 2019
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8T3V
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![BU of 8t3v by Molmil](/molmil-images/mine/8t3v) | Cryo-EM structure of the DHA bound FFA1-Gq complex | Descriptor: | CHOLESTEROL, DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID, Free fatty acid receptor 1, ... | Authors: | Zhang, X, Tikhonova, I, Milligan, G, Zhang, C. | Deposit date: | 2023-06-07 | Release date: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Structural basis for the ligand recognition and signaling of free fatty acid receptors. Sci Adv, 10, 2024
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2G15
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![BU of 2g15 by Molmil](/molmil-images/mine/2g15) | Structural Characterization of autoinhibited c-Met kinase | Descriptor: | activated met oncogene | Authors: | Wang, W, Marimuthu, A, Tsai, J, Kumar, A, Krupka, H.I, Zhang, C, Powell, B, Suzuki, Y, Nguyen, H, Tabrizizad, M, Luu, C, West, B.L. | Deposit date: | 2006-02-13 | Release date: | 2006-03-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural characterization of autoinhibited c-Met kinase produced by coexpression in bacteria with phosphatase. Proc.Natl.Acad.Sci.Usa, 103, 2006
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6KXH
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![BU of 6kxh by Molmil](/molmil-images/mine/6kxh) | Alp1U_Y247F mutant in complex with Fluostatin C | Descriptor: | D-MALATE, Fluostatin C, Putative hydrolase, ... | Authors: | Zhang, L, Yingli, Z, De, B.C, Zhang, C. | Deposit date: | 2019-09-11 | Release date: | 2020-09-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.78039551 Å) | Cite: | Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the alpha / beta-fold epoxide hydrolase Alp1U. J.Biol.Chem., 295, 2020
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7XPO
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![BU of 7xpo by Molmil](/molmil-images/mine/7xpo) | Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD/UDP-Glc | Descriptor: | GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase, ... | Authors: | Chen, Y.H, Wang, X.C, Zhang, C.R. | Deposit date: | 2022-05-05 | Release date: | 2023-05-17 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis. Nat Commun, 14, 2023
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6KXR
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![BU of 6kxr by Molmil](/molmil-images/mine/6kxr) | Crystal structure of wild type Alp1U from the biosynthesis of kinamycins | Descriptor: | D-MALATE, Putative hydrolase | Authors: | Zhang, L, Yingli, Z, De, B.C, Zhang, C. | Deposit date: | 2019-09-12 | Release date: | 2020-09-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.45073676 Å) | Cite: | Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the alpha / beta-fold epoxide hydrolase Alp1U. J.Biol.Chem., 295, 2020
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7Y35
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![BU of 7y35 by Molmil](/molmil-images/mine/7y35) | Cryo-EM structure of the Abaloparatide-bound human PTH1R-Gs complex | Descriptor: | Abaloparatide, 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, ... | Authors: | Zhai, X, Mao, C, Shen, Q, Zang, S, Shen, D, Zhang, H, Chen, Z, Wang, G, Zhang, C, Zhang, Y, Liu, Z. | Deposit date: | 2022-06-09 | Release date: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM structure of the Abaloparatide-bound human PTH1R-Gs complex To Be Published
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7Y36
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![BU of 7y36 by Molmil](/molmil-images/mine/7y36) | Cryo-EM structure of the Teriparatide-bound human PTH1R-Gs 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, HYDROXIDE ION, ... | Authors: | Zhai, X, Mao, C, Shen, Q, Zang, S, Shen, D, Zhang, H, Chen, Z, Wang, G, Zhang, C, Zhang, Y, Liu, Z. | Deposit date: | 2022-06-10 | Release date: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Cryo-EM structure of the Teriparatide-bound human PTH1R-Gs complex to be published
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2FUE
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![BU of 2fue by Molmil](/molmil-images/mine/2fue) | Human alpha-Phosphomannomutase 1 with D-mannose 1-phosphate and Mg2+ cofactor bound | Descriptor: | 1-O-phosphono-alpha-D-mannopyranose, MAGNESIUM ION, Phosphomannomutase 1 | Authors: | Silvaggi, N.R, Zhang, C, Lu, Z, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2006-01-26 | Release date: | 2006-03-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The X-ray crystal structures of human alpha-phosphomannomutase 1 reveal the structural basis of congenital disorder of glycosylation type 1a. J.Biol.Chem., 281, 2006
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7Y4H
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![BU of 7y4h by Molmil](/molmil-images/mine/7y4h) | |
6KOL
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![BU of 6kol by Molmil](/molmil-images/mine/6kol) | Crystal structure of auracyanin from photosynthetic bacterium Roseiflexus castenholzii | Descriptor: | Blue (Type 1) copper domain protein, CHLORIDE ION, COPPER (II) ION | Authors: | Wang, C, Zhang, C.Y, Min, Z.Z, Xin, Y.Y, Xu, X.L. | Deposit date: | 2019-08-12 | Release date: | 2020-01-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.211 Å) | Cite: | Structural basis underlying the electron transfer features of a blue copper protein auracyanin from the photosynthetic bacterium Roseiflexus castenholzii. Photosyn. Res., 143, 2020
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6L9S
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![BU of 6l9s by Molmil](/molmil-images/mine/6l9s) | Crystal structure of Na-dithionite reduced auracyanin from photosynthetic bacterium Roseiflexus castenholzii | Descriptor: | Blue (Type 1) copper domain protein, COPPER (I) ION | Authors: | Wang, C, Zhang, C.Y, Min, Z.Z, Xu, X.L. | Deposit date: | 2019-11-10 | Release date: | 2020-01-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis underlying the electron transfer features of a blue copper protein auracyanin from the photosynthetic bacterium Roseiflexus castenholzii. Photosyn. Res., 143, 2020
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