7KTY
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![BU of 7kty by Molmil](/molmil-images/mine/7kty) | Data clustering and dynamics of chymotrypsinogen average structure | Descriptor: | Chymotrypsinogen A, SULFATE ION | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Shi, W, Sweet, R.M, Soares, A.S, Bernstein, H.J. | Deposit date: | 2020-11-24 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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1N8Z
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![BU of 1n8z by Molmil](/molmil-images/mine/1n8z) | Crystal structure of extracellular domain of human HER2 complexed with Herceptin Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Herceptin Fab (antibody) - heavy chain, Herceptin Fab (antibody) - light chain, ... | Authors: | Cho, H.-S, Mason, K, Ramyar, K.X, Stanley, A.M, Gabelli, S.B, Denney Jr, D.W, Leahy, D.J. | Deposit date: | 2002-11-21 | Release date: | 2003-02-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Structure of the Extracellular Region of HER2 Alone and in Complex with the Herceptin Fab Nature, 421, 2003
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3O52
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![BU of 3o52 by Molmil](/molmil-images/mine/3o52) | Structure of the E.coli GDP-mannose hydrolase (yffh) in complex with tartrate | Descriptor: | CHLORIDE ION, D(-)-TARTARIC ACID, GDP-mannose pyrophosphatase nudK, ... | Authors: | Amzel, L.M, Gabelli, S.B, Boto, A.N. | Deposit date: | 2010-07-27 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural studies of the Nudix GDP-mannose hydrolase from E. coli reveals a new motif for mannose recognition. Proteins, 79, 2011
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3O61
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![BU of 3o61 by Molmil](/molmil-images/mine/3o61) | Structure of the E100A E.coli GDP-mannose hydrolase (yffh) in complex with GDP-mannose and Mg++ | Descriptor: | CHLORIDE ION, GDP-mannose pyrophosphatase nudK, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, ... | Authors: | Amzel, L.M, Gabelli, S.B, Boto, A.N. | Deposit date: | 2010-07-28 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural studies of the Nudix GDP-mannose hydrolase from E. coli reveals a new motif for mannose recognition. Proteins, 79, 2011
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1MP2
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![BU of 1mp2 by Molmil](/molmil-images/mine/1mp2) | Structure of MT-ADPRase (Apoenzyme), a Nudix hydrolase from Mycobacterium tuberculosis | Descriptor: | ADPR pyrophosphatase | Authors: | Kang, L.-W, Gabelli, S.B, Bianchet, M.A, Cunningham, J.E, O'Handley, S.F, Amzel, L.M. | Deposit date: | 2002-09-11 | Release date: | 2003-08-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and mechanism of MT-ADPRase, a Nudix hydrolase from Mycobacterium tuberculosis Structure, 11, 2003
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7UUX
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![BU of 7uux by Molmil](/molmil-images/mine/7uux) | ATP binds to Cyclic GMP AMP synthase (cGAS) through Mg coordination | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, MAGNESIUM ION, ... | Authors: | Wu, S, Gabelli, S.B, Sohn, J. | Deposit date: | 2022-04-29 | Release date: | 2023-05-03 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS Nat Commun, 15, 2024
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7V0W
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![BU of 7v0w by Molmil](/molmil-images/mine/7v0w) | Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppG(2,5 )pA | Descriptor: | ADENOSINE MONOPHOSPHATE, Cyclic GMP-AMP synthase, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Wu, S, Gabelli, S.B, Sohn, J. | Deposit date: | 2022-05-11 | Release date: | 2023-05-17 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS Nat Commun, 15, 2024
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1MR2
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![BU of 1mr2 by Molmil](/molmil-images/mine/1mr2) | Structure of the MT-ADPRase in complex with 1 Mn2+ ion and AMP-CP (a inhibitor), a nudix enzyme | Descriptor: | ADPR pyrophosphatase, MANGANESE (II) ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER | Authors: | Kang, L.-W, Gabelli, S.B, Bianchet, M.A, Cunningham, J.E, O'Handley, S.F, Amzel, L.M. | Deposit date: | 2002-09-17 | Release date: | 2003-08-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and mechanism of MT-ADPRase, a Nudix hydrolase from Mycobacterium tuberculosis Structure, 11, 2003
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1MQW
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![BU of 1mqw by Molmil](/molmil-images/mine/1mqw) | Structure of the MT-ADPRase in complex with three Mn2+ ions and AMPCPR, a Nudix enzyme | Descriptor: | ADPR pyrophosphatase, ALPHA-BETA METHYLENE ADP-RIBOSE, MANGANESE (II) ION | Authors: | Kang, L.-W, Gabelli, S.B, Bianchet, M.A, Cunningham, J.E, O'Handley, S.F, Amzel, L.M. | Deposit date: | 2002-09-17 | Release date: | 2003-08-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and mechanism of MT-ADPRase, a Nudix hydrolase from Mycobacterium tuberculosis Structure, 11, 2003
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1MQE
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![BU of 1mqe by Molmil](/molmil-images/mine/1mqe) | Structure of the MT-ADPRase in complex with gadolidium and ADP-ribose, a Nudix enzyme | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, ADPR pyrophosphatase, GADOLINIUM ION | Authors: | Kang, L.-W, Gabelli, S.B, Bianchet, M.A, Cunningham, J.E, O'Handley, S.F, Amzel, L.M. | Deposit date: | 2002-09-16 | Release date: | 2003-08-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and mechanism of MT-ADPRase, a Nudix hydrolase from Mycobacterium tuberculosis Structure, 11, 2003
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1MK1
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![BU of 1mk1 by Molmil](/molmil-images/mine/1mk1) | Structure of the MT-ADPRase in complex with ADPR, a Nudix enzyme | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, ADPR pyrophosphatase | Authors: | Kang, L.-W, Gabelli, S.B, Bianchet, M.A, Cunningham, J.E, O'Handley, S.F, Amzel, L.M. | Deposit date: | 2002-08-28 | Release date: | 2003-08-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and mechanism of MT-ADPRase, a Nudix hydrolase from Mycobacterium tuberculosis Structure, 11, 2003
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1N8Y
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![BU of 1n8y by Molmil](/molmil-images/mine/1n8y) | Crystal structure of the extracellular region of rat HER2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, protooncoprotein | Authors: | Cho, H.-S, Mason, K, Ramyar, K.X, Stanley, A.M, Gabelli, S.B, Denney Jr, D.W, Leahy, D.J. | Deposit date: | 2002-11-21 | Release date: | 2003-02-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the Extracellular Region of HER2 Alone and in complex with the Herceptin Fab Nature, 421, 2003
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3ID0
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![BU of 3id0 by Molmil](/molmil-images/mine/3id0) | Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with 3-Fluoro-1-(2-hydroxy-2,2-bisphosphono-ethyl)pyridinium | Descriptor: | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | Authors: | Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E. | Deposit date: | 2009-07-19 | Release date: | 2010-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer. Proteins, 78, 2010
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3O6Z
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![BU of 3o6z by Molmil](/molmil-images/mine/3o6z) | Structure of the D152A E.coli GDP-mannose hydrolase (yffh) in complex with Mg++ | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Amzel, L.M, Gabelli, S.B, Boto, A.N. | Deposit date: | 2010-07-29 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural studies of the Nudix GDP-mannose hydrolase from E. coli reveals a new motif for mannose recognition. Proteins, 79, 2011
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3O69
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![BU of 3o69 by Molmil](/molmil-images/mine/3o69) | Structure of the E100A E.coli GDP-mannose hydrolase (yffh) in complex with Mg++ | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GDP-mannose pyrophosphatase nudK, ... | Authors: | Amzel, L.M, Gabelli, S.B, Boto, A.N. | Deposit date: | 2010-07-28 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural studies of the Nudix GDP-mannose hydrolase from E. coli reveals a new motif for mannose recognition. Proteins, 79, 2011
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3HHM
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![BU of 3hhm by Molmil](/molmil-images/mine/3hhm) | Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha and the drug wortmannin | Descriptor: | (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... | Authors: | Amzel, L.M, Vogelstein, B, Gabelli, S.B, Mandelker, D. | Deposit date: | 2009-05-15 | Release date: | 2009-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A frequent kinase domain mutation that changes the interaction between PI3K{alpha} and the membrane. Proc.Natl.Acad.Sci.USA, 106, 2009
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3HIZ
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![BU of 3hiz by Molmil](/molmil-images/mine/3hiz) | Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Amzel, L.M, Vogelstein, B, Gabelli, S.B, Mandelker, D. | Deposit date: | 2009-05-20 | Release date: | 2009-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | A frequent kinase domain mutation that changes the interaction between PI3K{alpha} and the membrane. Proc.Natl.Acad.Sci.USA, 106, 2009
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3Q4I
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![BU of 3q4i by Molmil](/molmil-images/mine/3q4i) | Crystal structure of CDP-Chase in complex with Gd3+ | Descriptor: | GADOLINIUM ION, Phosphohydrolase (MutT/nudix family protein) | Authors: | Duong-Ly, K.C, Gabelli, S.B, Amzel, L.M. | Deposit date: | 2010-12-23 | Release date: | 2011-07-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Nudix Hydrolase CDP-Chase, a CDP-Choline Pyrophosphatase, Is an Asymmetric Dimer with Two Distinct Enzymatic Activities. J.Bacteriol., 193, 2011
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3Q1P
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![BU of 3q1p by Molmil](/molmil-images/mine/3q1p) | Crystal structure of CDP-Chase | Descriptor: | Phosphohydrolase (MutT/nudix family protein), SULFATE ION | Authors: | Duong-Ly, K.C, Gabelli, S.B, Amzel, L.M. | Deposit date: | 2010-12-17 | Release date: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Nudix Hydrolase CDP-Chase, a CDP-Choline Pyrophosphatase, Is an Asymmetric Dimer with Two Distinct Enzymatic Activities. J.Bacteriol., 193, 2011
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1NQZ
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![BU of 1nqz by Molmil](/molmil-images/mine/1nqz) | The structure of a CoA pyrophosphatase from D. Radiodurans complexed with a magnesium ion | Descriptor: | CoA pyrophosphatase (MutT/nudix family protein), MAGNESIUM ION | Authors: | Kang, L.W, Gabelli, S.B, Bianchet, M.A, Xu, W.L, Bessman, M.J, Amzel, L.M. | Deposit date: | 2003-01-23 | Release date: | 2003-05-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of a coenzyme A pyrophosphatase from Deinococcus radiodurans: a member of the Nudix family. J.Bacteriol., 185, 2003
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5TJ7
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![BU of 5tj7 by Molmil](/molmil-images/mine/5tj7) | |
5TJ8
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![BU of 5tj8 by Molmil](/molmil-images/mine/5tj8) | |
5TJQ
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![BU of 5tjq by Molmil](/molmil-images/mine/5tjq) | Structure of WWP2 2,3-linker-HECT | Descriptor: | NEDD4-like E3 ubiquitin-protein ligase WWP2,NEDD4-like E3 ubiquitin-protein ligase WWP2 | Authors: | Chen, Z, Gabelli, S.B. | Deposit date: | 2016-10-04 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | A Tunable Brake for HECT Ubiquitin Ligases. Mol. Cell, 66, 2017
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