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2Q5E
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Crystal structure of human carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 2
Descriptor: Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 2, MAGNESIUM ION
Authors:Bonanno, J.B, Dickey, M, Bain, K.T, Lau, C, 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:2007-05-31
Release date:2007-06-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
5VV7
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BU of 5vv7 by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-(((3-(Pyridin-3-yl)propyl)amino)methyl)quinolin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-(((3-(PYRIDIN-3-YL)PROPYL)AMINO)METHYL)QUINOLIN-2-, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-05-19
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
4ZFK
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BU of 4zfk by Molmil
Ergothioneine-biosynthetic Ntn hydrolase EgtC with glutamine
Descriptor: 1,2-ETHANEDIOL, Amidohydrolase EgtC, GLUTAMINE
Authors:Vit, A, Seebeck, F.P, Blankenfeldt, W.
Deposit date:2015-04-21
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure of the Ergothioneine-Biosynthesis Amidohydrolase EgtC.
Chembiochem, 16, 2015
4ZGS
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BU of 4zgs by Molmil
Identification of the pyruvate reductase of Chlamydomonas reinhardtii
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative D-lactate dehydrogenase
Authors:Burgess, S.J, Hussein, T, Yeoman, J.A, Iamshanova, O, Boehm, M, Bundy, J, Bialek, W, Murray, J.W, Nixon, P.J.
Deposit date:2015-04-23
Release date:2015-12-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.461 Å)
Cite:Identification of the Elusive Pyruvate Reductase of Chlamydomonas reinhardtii Chloroplasts.
Plant Cell.Physiol., 57, 2016
4ZHN
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BU of 4zhn by Molmil
Crystal Structure of AlkB T208A mutant protein in complex with Co(II), 2-oxoglutarate, and methylated trinucleotide T-meA-T
Descriptor: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, COBALT (II) ION, ...
Authors:Ergel, B, Yu, B, Vorobiev, S.M, Forouhar, F, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2015-04-25
Release date:2015-12-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.333 Å)
Cite:DFT Studies of the Rate-Limiting Step in the Reaction Cycle of the Fe/2OG Dioxygenase AlkB and Related Experimental Studies
To be published
2Q8R
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BU of 2q8r by Molmil
Structural and Functional Characterization of CC Chemokine CCL14
Descriptor: CCL14
Authors:Blain, K.Y.
Deposit date:2007-06-11
Release date:2007-09-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural and Functional Characterization of CC Chemokine CCL14
Biochemistry, 46, 2007
6CXI
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BU of 6cxi by Molmil
Cardiac thin filament decorated with C0C1 fragment of cardiac myosin binding protein C mode 1
Descriptor: Actin, cytoplasmic 2, Myosin-binding protein C, ...
Authors:Galkin, V.E, Schroeder, G.F.
Deposit date:2018-04-03
Release date:2018-10-10
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (11 Å)
Cite:N-Terminal Domains of Cardiac Myosin Binding Protein C Cooperatively Activate the Thin Filament.
Structure, 26, 2018
6D3M
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BU of 6d3m by Molmil
FT_T dioxygenase with bound quizalofop
Descriptor: (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid, 2-OXOGLUTARIC ACID, CHLORIDE ION, ...
Authors:Rydel, T.J, Halls, C.E.
Deposit date:2018-04-16
Release date:2018-08-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops.
Pest Manag. Sci., 75, 2019
6CIO
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BU of 6cio by Molmil
Pyruvate:ferredoxin oxidoreductase from Moorella thermoacetica with lactyl-TPP bound
Descriptor: 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
Authors:Chen, P.Y.-T, Drennan, C.L.
Deposit date:2018-02-24
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.003 Å)
Cite:Binding site for coenzyme A revealed in the structure of pyruvate:ferredoxin oxidoreductase fromMoorella thermoacetica.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5VZA
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BU of 5vza by Molmil
Pre-catalytic ternary complex of human Polymerase Mu (G433S) mutant with incoming nonhydrolyzable UMPNPP
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, DNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3'), ...
Authors:Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C.
Deposit date:2017-05-27
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu.
Nucleic Acids Res., 45, 2017
5VZI
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BU of 5vzi by Molmil
Post-catalytic complex of human Polymerase Mu (W434H) mutant with incoming dTTP
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*AP*T)-3'), ...
Authors:Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C.
Deposit date:2017-05-27
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu.
Nucleic Acids Res., 45, 2017
6D2G
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BU of 6d2g by Molmil
Crystal structure of Corynebacterium diphtheriae UDP-galactopyranose mutase in complex with UDP-galactopyranose (open, reduced)
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GALACTOSE-URIDINE-5'-DIPHOSPHATE, ISOPROPYL ALCOHOL, ...
Authors:Wangkanont, K, Kiessling, L.L, Forest, K.T.
Deposit date:2018-04-13
Release date:2019-04-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Substrate recognition by FAD in UDP-galactopyranose mutase
To be published
4ZN9
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BU of 4zn9 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Oxabicyclic Heptene Sulfonate (OBHS)
Descriptor: Estrogen receptor, Nuclear receptor-interacting peptide, cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-05-04
Release date:2015-09-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.215 Å)
Cite:Development of selective estrogen receptor modulator (SERM)-like activity through an indirect mechanism of estrogen receptor antagonism: defining the binding mode of 7-oxabicyclo[2.2.1]hept-5-ene scaffold core ligands.
Chemmedchem, 7, 2012
2Q82
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BU of 2q82 by Molmil
Crystal structure of core protein P7 from Pseudomonas phage phi12. Northeast Structural Genomics Target OC1
Descriptor: Core protein P7
Authors:Benach, J, Eryilmaz, E, Su, M, Seetharaman, J, Wei, H, Gottlieb, P, Hunt, J.F, Ghose, R, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-06-08
Release date:2007-08-07
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure and dynamics of the P7 protein from the bacteriophage phi 12.
J.Mol.Biol., 382, 2008
6CHS
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BU of 6chs by Molmil
Cdc48-Npl4 complex in the presence of ATP-gamma-S
Descriptor: MAGNESIUM ION, Npl4, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Kim, K.H, Bodnar, N.O, Walz, T, Rapoport, T.A.
Deposit date:2018-02-22
Release date:2018-07-04
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structure of the Cdc48 ATPase with its ubiquitin-binding cofactor Ufd1-Npl4.
Nat. Struct. Mol. Biol., 25, 2018
5VQS
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BU of 5vqs by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)acrylamide (JLJ685), a Non-nucleoside Inhibitor
Descriptor: N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)prop-2-enamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ...
Authors:Chan, A.H, Anderson, K.S.
Deposit date:2017-05-09
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.504 Å)
Cite:Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W2E
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BU of 5w2e by Molmil
HCV NS5B RNA-dependent RNA polymerase in complex with non-nucleoside inhibitor MK-8876
Descriptor: 2-(4-fluorophenyl)-5-(11-fluoro-6H-pyrido[2',3':5,6][1,3]oxazino[3,4-a]indol-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide, Genome polyprotein
Authors:Lesburg, C.A, Ummat, A.
Deposit date:2017-06-06
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Development of a New Structural Class of Broadly Acting HCV Non-Nucleoside Inhibitors Leading to the Discovery of MK-8876.
ChemMedChem, 12, 2017
4ZN8
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BU of 4zn8 by Molmil
Using molecular dynamics simulations to predict domain swapping of computationally designed protein variants
Descriptor: POTASSIUM ION, computationally modified engrailed homeodomain
Authors:Huang, P.-S, Thomas, L.M, Mayo, S.L.
Deposit date:2015-05-04
Release date:2015-05-27
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Using Molecular Dynamics Simulations as an Aid in the Prediction of Domain Swapping of Computationally Designed Protein Variants.
J.Mol.Biol., 427, 2015
5VS5
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BU of 5vs5 by Molmil
ABA-mimicking ligand AMF2alpha in complex with ABA receptor PYL2 and PP2C HAB1
Descriptor: 1-(2,3-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ...
Authors:Cao, M.-J, Zhang, Y.-L, Liu, X, Huang, H, Zhou, X.E, Wang, W.-W, Zeng, A, Zhao, C.-Z, Si, T, Du, J.-M, Wu, W.-W, Wang, F.-X, Xu, H.E, Zhu, J.-K.
Deposit date:2017-05-11
Release date:2017-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Combining chemical and genetic approaches to increase drought resistance in plants.
Nat Commun, 8, 2017
6CPQ
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BU of 6cpq by Molmil
Structure of human DNA polymerase beta complexed with 8-ClG in the template base paired with incoming non-hydrolyzable CTP
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*CP*CP*GP*AP*CP*(CGM)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ...
Authors:Koag, M.-C, Lee, S.
Deposit date:2018-03-13
Release date:2019-03-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure of human DNA polymerase beta complexed with 8-ClG in the template base paired with incoming non-hydrolyzable CTP
To Be Published
6CRP
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BU of 6crp by Molmil
CryoEM structure of human enterovirus D68 abortive product 1 (pH 7.2 and 4 degrees Celsius)
Descriptor: viral protein 1, viral protein 2, viral protein 3, ...
Authors:Liu, Y, Rossmann, M.G.
Deposit date:2018-03-19
Release date:2018-12-19
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Molecular basis for the acid-initiated uncoating of human enterovirus D68.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6CSH
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BU of 6csh by Molmil
CryoEM structure of human enterovirus D68 emptied particle (pH 5.5 and 33 degrees Celsius)
Descriptor: viral protein 1, viral protein 2, viral protein 3
Authors:Liu, Y, Rossmann, M.G.
Deposit date:2018-03-20
Release date:2018-12-19
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular basis for the acid-initiated uncoating of human enterovirus D68.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
2PY6
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BU of 2py6 by Molmil
Crystal structure of Methyltransferase FkbM (YP_546752.1) from Methylobacillus flagellatus KT at 2.20 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-05-15
Release date:2007-05-29
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of Methyltransferase FkbM (YP_546752.1) from Methylobacillus flagellatus KT at 2.20 A resolution
To be published
5VTP
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BU of 5vtp by Molmil
X-ray diffraction data of DNA Polymerase Eta (RAD30) of Saccharomyces cerevisiae with a single magnesium bound in absence of DNA and incoming dNTP
Descriptor: DNA polymerase eta, MAGNESIUM ION
Authors:Powers, K.T, Washington, M.T.
Deposit date:2017-05-17
Release date:2018-01-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The C-terminal region of translesion synthesis DNA polymerase eta is partially unstructured and has high conformational flexibility.
Nucleic Acids Res., 46, 2018
4ZP5
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BU of 4zp5 by Molmil
MAP4K4 in complex with inhibitor
Descriptor: 4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzamide, Mitogen-activated protein kinase kinase kinase kinase 4
Authors:Liu, S.
Deposit date:2015-05-07
Release date:2016-10-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structure of MAP4K4 complex
To Be Published

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