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6ZXO
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BU of 6zxo by Molmil
Crystal structure of His-tagged human thymidylate synthase (HT-hTS) in complex with FdUMP and Raltitrexed (Tomudex)
Descriptor: 1,2-ETHANEDIOL, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, TOMUDEX, ...
Authors:Pozzi, C, Mangani, S.
Deposit date:2020-07-30
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Bases for the Synergistic Inhibition of Human Thymidylate Synthase and Ovarian Cancer Cell Growth by Drug Combinations.
Cancers (Basel), 13, 2021
1YF3
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BU of 1yf3 by Molmil
T4Dam in Complex with AdoHcy and 13-mer Oligonucleotide Making Non- and Semi-specific (~1/4) Contact
Descriptor: 5'-D(*AP*CP*CP*AP*TP*GP*AP*TP*CP*TP*GP*AP*C)-3', 5'-D(*TP*GP*TP*CP*AP*GP*AP*TP*CP*AP*TP*GP*G)-3', DNA adenine methylase, ...
Authors:Horton, J.R, Liebert, K, Hattman, S, Jeltsch, A, Cheng, X.
Deposit date:2004-12-30
Release date:2005-05-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Transition from Nonspecific to Specific DNA Interactions along the Substrate-Recognition Pathway of Dam Methyltransferase.
Cell(Cambridge,Mass.), 121, 2005
1YFL
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BU of 1yfl by Molmil
T4Dam in Complex with Sinefungin and 16-mer Oligonucleotide Showing Semi-specific and Specific Contact and Flipped Base
Descriptor: 5'-D(P*TP*CP*AP*CP*AP*GP*GP*AP*TP*CP*CP*TP*GP*TP*GP*A)-3', DNA adenine methylase, SINEFUNGIN
Authors:Horton, J.R, Liebert, K, Hattman, S, Jeltsch, A, Cheng, X.
Deposit date:2005-01-03
Release date:2005-05-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Transition from Nonspecific to Specific DNA Interactions along the Substrate-Recognition Pathway of Dam Methyltransferase.
Cell(Cambridge,Mass.), 121, 2005
6ZWT
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BU of 6zwt by Molmil
Crystal structure of DNA-binding domain of OmpR of two-component system of Acinetobacter baumannii
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ...
Authors:Narwal, M, Lucchini, V, Trebosc, V, Gartenmann, S, Pieren, M, Kemmer, C, Kammerer, R.A.
Deposit date:2020-07-28
Release date:2021-08-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Targeting virulence regulation to disarm Acinetobacter baumannii pathogenesis.
Virulence, 13, 2022
2YII
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BU of 2yii by Molmil
Manipulating the regioselectivity of phenylalanine aminomutase: new insights into the reaction mechanism of MIO-dependent enzymes from structure-guided directed evolution
Descriptor: BETA-MERCAPTOETHANOL, FORMIC ACID, GLYCEROL, ...
Authors:Wu, B, Szymanski, W, Wybenga, G.G, Heberling, M.M, Bartsch, S, Wildeman, S, Poelarends, G.J, Feringa, B.L, Dijkstra, B.W, Janssen, D.B.
Deposit date:2011-05-13
Release date:2011-11-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Mechanism-Inspired Engineering of Phenylalanine Aminomutase for Enhanced Beta-Regioselective Asymmetric Amination of Cinnamates.
Angew.Chem.Int.Ed.Engl., 51, 2012
1YFJ
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BU of 1yfj by Molmil
T4Dam in Complex with AdoHcy and 15-mer Oligonucleotide Showing Semi-specific and Specific Contact
Descriptor: 5'-D(*TP*CP*AP*CP*AP*GP*GP*AP*TP*CP*CP*TP*GP*TP*G)-3', CALCIUM ION, CHLORIDE ION, ...
Authors:Horton, J.R, Liebert, K, Hattman, S, Jeltsch, A, Cheng, X.
Deposit date:2005-01-02
Release date:2005-05-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Transition from Nonspecific to Specific DNA Interactions along the Substrate-Recognition Pathway of Dam Methyltransferase.
Cell(Cambridge,Mass.), 121, 2005
4R8I
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BU of 4r8i by Molmil
High Resolution Structure of a Mirror-Image RNA Oligonucleotide Aptamer in Complex with the Chemokine CCL2
Descriptor: C-C motif chemokine 2, Mirror-Image RNA Oligonucleotide Aptamer NOXE36, POTASSIUM ION, ...
Authors:Oberthuer, D, Achenbach, J, Gabdulkhakov, A, Falke, S, Buchner, K, Maasch, C, Rehders, D, Klussmann, S, Betzel, C.
Deposit date:2014-09-02
Release date:2015-04-29
Last modified:2015-05-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of a mirror-image L-RNA aptamer (Spiegelmer) in complex with the natural L-protein target CCL2.
Nat Commun, 6, 2015
4UQ6
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BU of 4uq6 by Molmil
Electron density map of GluA2em in complex with LY451646 and glutamate
Descriptor: GLUTAMATE RECEPTOR 2, GLUTAMIC ACID
Authors:Meyerson, J.R, Kumar, J, Chittori, S, Rao, P, Pierson, J, Bartesaghi, A, Mayer, M.L, Subramaniam, S.
Deposit date:2014-06-20
Release date:2014-08-13
Last modified:2017-08-02
Method:ELECTRON MICROSCOPY (12.8 Å)
Cite:Structural Mechanism of Glutamate Receptor Activation and Desensitization
Nature, 514, 2014
2PMR
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BU of 2pmr by Molmil
Crystal structure of a protein of unknown function from Methanobacterium thermoautotrophicum
Descriptor: Uncharacterized protein
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Wu, B, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-04-23
Release date:2007-05-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Crystal structure of a protein of unknown function from Methanobacterium thermoautotrophicum.
To be Published
1YG9
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BU of 1yg9 by Molmil
The structure of mutant (N93Q) of bla g 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Aspartic protease Bla g 2, ...
Authors:Li, M, Gustchina, A, Wuenschmann, S, Pomes, A, Wlodawer, A.
Deposit date:2005-01-04
Release date:2005-03-22
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of cockroach allergen Bla g 2, an unusual zinc binding aspartic protease with a novel mode of self-inhibition.
J.Mol.Biol., 348, 2005
2P61
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BU of 2p61 by Molmil
Crystal structure of protein TM1646 from Thermotoga maritima, Pfam DUF327
Descriptor: Hypothetical protein TM_1646
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Wu, B, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-03-16
Release date:2007-03-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of hypothetical protein TM_1646 from Thermotoga maritima
To be Published
3BIL
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BU of 3bil by Molmil
Crystal structure of a probable LacI family transcriptional regulator from Corynebacterium glutamicum
Descriptor: Probable LacI-family transcriptional regulator
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Mendoza, M, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-11-30
Release date:2007-12-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a probable LacI family transcriptional regulator from Corynebacterium glutamicum.
To be Published
3C8T
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BU of 3c8t by Molmil
Crystal structure of fumarate lyase from Mesorhizobium sp. BNC1
Descriptor: Fumarate lyase
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Chang, S, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-02-13
Release date:2008-03-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of fumarate lyase from Mesorhizobium sp. BNC1.
To be Published
2LMK
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BU of 2lmk by Molmil
Solution Structure of Mouse Pheromone ESP1
Descriptor: Exocrine gland-secreting peptide 1
Authors:Yoshinaga, S, Sato, T, Hirakane, M, Esaki, K, Hamaguchi, T, Haga-Yamanaka, S, Tsunoda, M, Kimoto, H, Shimada, I, Touhara, K, Terasawa, H.
Deposit date:2011-12-06
Release date:2013-04-17
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of the Mouse Sex Peptide Pheromone ESP1 Reveals a Molecular Basis for Specific Binding to the Class-C G-Protein-Coupled Vomeronasal Receptor
J.Biol.Chem., 2013
8DJH
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BU of 8djh by Molmil
Ternary complex of SUMO1 with a phosphomimetic SIM of PML and zinc
Descriptor: PML 4SD, Small ubiquitin-related modifier 1, ZINC ION
Authors:Lussier-Price, M, Wahba, H.M, Mascle, X.H, Cappadocia, L, Bourdeau, V, Gagnon, C, Igelmann, S, Sakaguchi, K, Ferbeyre, G, Omichinski, J.G.
Deposit date:2022-06-30
Release date:2022-08-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Zinc controls PML nuclear body formation through regulation of a paralog specific auto-inhibition in SUMO1.
Nucleic Acids Res., 50, 2022
8DJI
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BU of 8dji by Molmil
Ternary complex of SUMO1 with the SIM of PML and zinc
Descriptor: Protein PML, Small ubiquitin-related modifier 1, ZINC ION
Authors:Lussier-Price, M, Wahba, H.M, Mascle, X.H, Cappadocia, L, Bourdeau, V, Gagnon, C, Igelmann, S, Sakaguchi, K, Ferbeyre, G, Omichinski, J.G.
Deposit date:2022-06-30
Release date:2022-08-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Zinc controls PML nuclear body formation through regulation of a paralog specific auto-inhibition in SUMO1.
Nucleic Acids Res., 50, 2022
8E1H
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BU of 8e1h by Molmil
Asp1 kinase in complex with ADP Mg 5-IP7
Descriptor: (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, ADENOSINE-5'-DIPHOSPHATE, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase, ...
Authors:Goldgur, Y, Shuman, S, Benjamin, B.
Deposit date:2022-08-10
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States.
Mbio, 13, 2022
8E1I
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BU of 8e1i by Molmil
Asp1 kinase in complex with ATP Mg 5-IP7
Descriptor: (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, ADENOSINE-5'-TRIPHOSPHATE, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase, ...
Authors:Goldgur, Y, Shuman, S, Benjamin, B.
Deposit date:2022-08-10
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States.
Mbio, 13, 2022
8E1S
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BU of 8e1s by Molmil
Asp1 kinase in complex with ADPNP Mn IP6
Descriptor: INOSITOL HEXAKISPHOSPHATE, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase, MANGANESE (II) ION, ...
Authors:Goldgur, Y, Shuman, S, Benjamin, B.
Deposit date:2022-08-11
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States.
Mbio, 13, 2022
8E1T
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BU of 8e1t by Molmil
Asp1 kinase in complex with ADPNP Mg IP7
Descriptor: (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase, MAGNESIUM ION, ...
Authors:Goldgur, Y, Shuman, S, Benjamin, B.
Deposit date:2022-08-11
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States.
Mbio, 13, 2022
8E1J
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BU of 8e1j by Molmil
Asp1 kinase in complex with 1,5-IP8
Descriptor: (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase
Authors:Goldgur, Y, Shuman, S, Benjamin, B.
Deposit date:2022-08-10
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States.
Mbio, 13, 2022
8E1V
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BU of 8e1v by Molmil
Asp1 kinase in complex with ADPNP Mg IP6
Descriptor: INOSITOL HEXAKISPHOSPHATE, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase, MAGNESIUM ION, ...
Authors:Goldgur, Y, Shuman, S, Benjamin, B.
Deposit date:2022-08-11
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States.
Mbio, 13, 2022
5BMF
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BU of 5bmf by Molmil
Crystal Structure of a Theophylline binding antibody Fab fragment
Descriptor: 2-(5-{1-[1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-4,15-dioxo-8,11-dioxa-5,14-diazaicosan-20-yl]-3,3-dimethyl-6-sulfo-1,3-dihydro-2H-indol-2-ylidene}penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate, Fab fragment heavy chain, Fab fragment light chain
Authors:Bujotzek, A, Fuchs, A, Changtao, Q, Klostermann, S, Benz, J, Antes, I, Dengl, S, Hoffmann, E, Georges, G.
Deposit date:2015-05-22
Release date:2015-07-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:MoFvAb: Modeling the Fv region of antibodies.
Mabs, 7, 2015
1Z3J
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BU of 1z3j by Molmil
Solution Structure of MMP12 in the presence of N-isobutyl-N-4-methoxyphenylsulfonyl]glycyl hydroxamic acid (NNGH)
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ...
Authors:Bertini, I, Calderone, V, Cosenza, M, Fragai, M, Lee, Y.M, Luchinat, C, Mangani, S, Terni, B, Turano, P.
Deposit date:2005-03-13
Release date:2005-04-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Conformational variability of matrix metalloproteinases: Beyond a single 3D structure.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1YCM
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BU of 1ycm by Molmil
Solution Structure of matrix metalloproteinase 12 (MMP12) in the presence of N-Isobutyl-N-[4-methoxyphenylsulfonyl]glycyl hydroxamic acid (NNGH)
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ...
Authors:Bertini, I, Calderone, V, Cosenza, M, Fragai, M, Lee, Y.M, Luchinat, C, Mangani, S, Terni, B, Turano, P, Structural Proteomics in Europe (SPINE)
Deposit date:2004-12-22
Release date:2005-04-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Conformational variability of matrix metalloproteinases: Beyond a single 3D structure.
Proc.Natl.Acad.Sci.Usa, 102, 2005

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