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3P5J
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BU of 3p5j by Molmil
The structure of the human RNase H2 complex defines key interaction interfaces relevant to enzyme function and human disease
Descriptor: Ribonuclease H2 subunit A, Ribonuclease H2 subunit B, Ribonuclease H2 subunit C
Authors:Bubeck, D, Graham, S.C, Jones, E.Y.
Deposit date:2010-10-08
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Structure of the Human RNase H2 Complex Defines Key Interaction Interfaces Relevant to Enzyme Function and Human Disease.
J.Biol.Chem., 286, 2011
4DY9
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BU of 4dy9 by Molmil
Leishmania major Peroxidase is a Cytochrome c Peroxidase
Descriptor: Cytochrome c, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jasion, V.S, Poulos, T.L.
Deposit date:2012-02-28
Release date:2012-03-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.082 Å)
Cite:Leishmania major Peroxidase Is a Cytochrome c Peroxidase.
Biochemistry, 51, 2012
2IHN
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BU of 2ihn by Molmil
Co-crystal of Bacteriophage T4 RNase H with a fork DNA substrate
Descriptor: 5'-D(*CP*TP*AP*AP*CP*TP*TP*TP*GP*AP*GP*GP*CP*AP*GP*AP*CP*C)-3', 5'-D(*GP*GP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*TP*AP*GP*TP*CP*AP*A)-3', Ribonuclease H
Authors:Devos, J.M, Mueser, T.C.
Deposit date:2006-09-26
Release date:2007-08-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of bacteriophage T4 5' nuclease in complex with a branched DNA reveals how FEN-1 family nucleases bind their substrates.
J.Biol.Chem., 282, 2007
4NPD
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BU of 4npd by Molmil
High-resolution structure of C domain of staphylococcal protein A at cryogenic temperature
Descriptor: Immunoglobulin G-binding protein A, THIOCYANATE ION, ZINC ION
Authors:Deis, L.N, Pemble IV, C.W, Oas, T.G, Richardson, J.S, Richardson, D.C.
Deposit date:2013-11-21
Release date:2014-10-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Multiscale conformational heterogeneity in staphylococcal protein a: possible determinant of functional plasticity.
Structure, 22, 2014
4NPE
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BU of 4npe by Molmil
High-resolution structure of C domain of staphylococcal protein A at room temperature
Descriptor: Immunoglobulin G-binding protein A, THIOCYANATE ION, ZINC ION
Authors:Deis, L.N, Pemble IV, C.W, Oas, T.G, Richardson, J.S, Richardson, D.C.
Deposit date:2013-11-21
Release date:2014-10-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Multiscale conformational heterogeneity in staphylococcal protein a: possible determinant of functional plasticity.
Structure, 22, 2014
5F6D
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BU of 5f6d by Molmil
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
4LWW
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BU of 4lww by Molmil
Discovery of Potent and Efficacious Cyanoguanidine-containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors
Descriptor: 1,2-ETHANEDIOL, N-(4-(phenylsulfonyl)benzyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Zheng, X, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynoids, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Oh, A, Wang, W, Zak, M, Wang, L, Yuen, P, Bair, K.W.
Deposit date:2013-07-28
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.641 Å)
Cite:Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
2KDH
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BU of 2kdh by Molmil
The Solution Structure of Human Cardiac Troponin C in complex with the Green Tea Polyphenol; (-)-epigallocatechin-3-gallate
Descriptor: (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, CALCIUM ION, Troponin C, ...
Authors:Robertson, I.M, Li, M.X, Sykes, B.D.
Deposit date:2009-01-09
Release date:2009-06-16
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of human cardiac troponin C in complex with the green tea polyphenol, (-)-epigallocatechin 3-gallate
J.Biol.Chem., 284, 2009
7XQF
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BU of 7xqf by Molmil
Structure of C-terminal truncated connexin43/Cx43/GJA1 gap junction intercellular channel in POPE/CHS nanodiscs
Descriptor: CHOLESTEROL HEMISUCCINATE, Gap junction alpha-1 protein, PHOSPHATIDYLETHANOLAMINE, ...
Authors:Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S.
Deposit date:2022-05-07
Release date:2023-02-22
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM.
Nat Commun, 14, 2023
7XQD
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BU of 7xqd by Molmil
Structure of C-terminal truncated connexin43/Cx43/GJA1 gap junction intercellular channel in POPE/CHS nanodiscs (C1 symmetry)
Descriptor: CHOLESTEROL HEMISUCCINATE, Gap junction alpha-1 protein, PHOSPHATIDYLETHANOLAMINE, ...
Authors:Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S.
Deposit date:2022-05-07
Release date:2023-02-22
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM.
Nat Commun, 14, 2023
3NMA
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BU of 3nma by Molmil
Mutant P169S of Foot-and-mouth disease Virus RNA dependent RNA-polymerase
Descriptor: 5'-R(*GP*GP*C)-3', 5'-R(P*CP*C)-3', Genome polyprotein, ...
Authors:Agudo, R, Ferrer-Orta, C, Arias, A, Perez-Luque, R, Verdaguer, N, Domingo, E.
Deposit date:2010-06-22
Release date:2011-05-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A multi-step process of viral adaptation to a mutagenic nucleoside analogue by modulation of transition types leads to extinction-escape.
Plos Pathog., 6, 2010
5ZHG
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BU of 5zhg by Molmil
Human group C rotavirus VP8*s recognize type A histo-blood group antigens as ligands
Descriptor: Outer capsid protein VP8*
Authors:Sun, X, Duan, Z.
Deposit date:2018-03-13
Release date:2018-04-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Human Group C Rotavirus VP8*s Recognize Type A Histo-Blood Group Antigens as Ligands.
J. Virol., 92, 2018
1R2U
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BU of 1r2u by Molmil
NMR structure of the N domain of trout cardiac troponin C at 30 C
Descriptor: CALCIUM ION, troponin C
Authors:Blumenschein, T.M, Gillis, T.E, Tibbits, G.F, Sykes, B.D.
Deposit date:2003-09-29
Release date:2004-06-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Effect of temperature on the structure of trout troponin C
Biochemistry, 43, 2004
1R6P
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BU of 1r6p by Molmil
NMR structure of the N-terminal domain of trout cardiac troponin C at 7 C
Descriptor: CALCIUM ION, troponin C
Authors:Blumenschein, T.M, Gillis, T.E, Tibbits, G.F, Sykes, B.D.
Deposit date:2003-10-15
Release date:2004-06-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Effect of temperature on the structure of trout troponin C
Biochemistry, 43, 2004
6HIF
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BU of 6hif by Molmil
Kuenenia stuttgartiensis hydrazine dehydrogenase complex
Descriptor: GLYCEROL, HEME C, Hydrazine dehydrogenase, ...
Authors:Akram, M, Dietl, A, Mersdorf, U, Prinz, S, Maalcke, W, Keltjens, J, Ferousi, C, de Almeida, N.M, Reimann, J, Kartal, B, Jetten, M.S.M, Parey, K, Barends, T.R.M.
Deposit date:2018-08-29
Release date:2019-04-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A 192-heme electron transfer network in the hydrazine dehydrogenase complex.
Sci Adv, 5, 2019
7LGR
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BU of 7lgr by Molmil
Streptococcus mutans Collagen binding Protein CNM - N2 Domain
Descriptor: Collagen-binding adhesin
Authors:Schormann, N, Deivanayagam, C.
Deposit date:2021-01-20
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Streptococcus mutans Collagen binding Protein CNM - Structural and Functional Analysis of the C-terminal N2 Domain
To Be Published
3N4M
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BU of 3n4m by Molmil
E. coli RNA polymerase alpha subunit C-terminal domain in complex with CAP and DNA
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Catabolite gene activator, DI(HYDROXYETHYL)ETHER, ...
Authors:Lara-Gonzalez, S, Birktoft, J.J, Lawson, C.L.
Deposit date:2010-05-21
Release date:2011-05-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.987 Å)
Cite:The RNA Polymerase alpha Subunit Recognizes the DNA Shape of the Upstream Promoter Element.
Biochemistry, 59, 2020
4MD6
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BU of 4md6 by Molmil
Crystal structure of PDE5 in complex with inhibitor 5R
Descriptor: 3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ...
Authors:Cui, W, Huang, M, Shao, Y, Luo, H.
Deposit date:2013-08-22
Release date:2014-07-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of 3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2H)-one as a phosphodiesterase-5 inhibitor and its complex crystal structure.
Biochem Pharmacol, 89, 2014
4LRG
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BU of 4lrg by Molmil
Structure of BRD4 bromodomain 1 with a dimethyl thiophene isoxazole azepine carboxamide
Descriptor: 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide, Bromodomain-containing protein 4
Authors:Ravichandran, S, Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S.
Deposit date:2013-07-19
Release date:2013-08-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors.
ACS Med Chem Lett, 4, 2013
3N1S
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BU of 3n1s by Molmil
Crystal structure of wild type ecHint GMP complex
Descriptor: 1,2-ETHANEDIOL, GUANOSINE-5'-MONOPHOSPHATE, HIT-like protein hinT
Authors:Cody, V.
Deposit date:2010-05-17
Release date:2010-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Probing the Impact of the echinT C-Terminal Domain on Structure and Catalysis.
J.Mol.Biol., 404, 2010
2E81
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BU of 2e81 by Molmil
Cytochrome c Nitrite Reductase from Wolinella succinogenes with bound intermediate hydroxylamine
Descriptor: CALCIUM ION, Cytochrome c-552, HYDROXYAMINE, ...
Authors:Einsle, O, Kroneck, P.M.H.
Deposit date:2007-01-15
Release date:2007-01-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of the six-electron reduction of nitrite to ammonia by cytochrome c nitrite reductase
J.Am.Chem.Soc., 124, 2002
6I9M
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BU of 6i9m by Molmil
JmjC domain-containing protein 5 (JMJD5) in complex with Mn and R-2-hydroxyglutarate
Descriptor: (2R)-2-hydroxypentanedioic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
Authors:Chowdhury, R, Islam, M.S, Schofield, C.J.
Deposit date:2018-11-23
Release date:2019-12-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural analysis of the 2-oxoglutarate binding site of the circadian rhythm linked oxygenase JMJD5.
Sci Rep, 12, 2022
2ISO
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BU of 2iso by Molmil
Ternary complex of DNA Polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-difluoromethylene triphosphate
Descriptor: 2'-DEOXY-5'-O-[({[DIFLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL}OXY)(HYDROXY)PHOSPHORYL]GUANOSINE, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ...
Authors:Sucato, C.A, Upton, T.G, Kashemirov, B.A, Martinek, V, Xiang, Y, Beard, W.A.
Deposit date:2006-10-18
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Modifying the beta,gamma Leaving-Group Bridging Oxygen Alters Nucleotide Incorporation Efficiency, Fidelity, and the Catalytic Mechanism of DNA Polymerase beta.
Biochemistry, 46, 2007
6IJX
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BU of 6ijx by Molmil
Crystal Structure of AKR1C1 complexed with meclofenamic acid
Descriptor: 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, X, Zhao, Y, Zhang, L, Zhang, H, Chen, Y, Hu, X.
Deposit date:2018-10-12
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
1L6T
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BU of 1l6t by Molmil
STRUCTURE OF ALA24/ASP61 TO ASP24/ASN61 SUBSTITUTED SUBUNIT C OF ESCHERICHIA COLI ATP SYNTHASE
Descriptor: ATP SYNTHASE C CHAIN
Authors:Dmitriev, O.Y, Abildgaard, F, Markley, J.L, Fillingame, R.H.
Deposit date:2002-03-13
Release date:2002-07-24
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of Ala24/Asp61 --> Asp24/Asn61 substituted subunit c of Escherichia coli ATP synthase: implications for the mechanism of proton transport and rotary movement in the F0 complex.
Biochemistry, 41, 2002

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