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4BFA
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BU of 4bfa by Molmil
Crystal structure of E. coli dihydrouridine synthase C (DusC)
Descriptor: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, NITRATE ION, ...
Authors:Byrne, R.T, Whelan, F, Konevega, A, Aziz, N, Rodnina, M, Antson, A.A.
Deposit date:2013-03-16
Release date:2013-11-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Major Reorientation of tRNA Substrates Defines Specificity of Dihydrouridine Synthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
3NLW
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BU of 3nlw by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-(2-(2,2-Difluoro-2-(piperidin-2-yl)ethylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({(3S,4S)-4-[2-({2,2-difluoro-2-[(2R)-piperidin-2-yl]ethyl}amino)ethoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Delker, S.L, Poulos, T.L.
Deposit date:2010-06-21
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Potent, highly selective, and orally bioavailable gem-difluorinated monocationic inhibitors of neuronal nitric oxide synthase.
J.Am.Chem.Soc., 132, 2010
3J07
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BU of 3j07 by Molmil
Model of a 24mer alphaB-crystallin multimer
Descriptor: Alpha-crystallin B chain
Authors:Jehle, S, Vollmar, B, Bardiaux, B, Dove, K.K, Rajagopal, P, Gonen, T, Oschkinat, H, Klevit, R.E.
Deposit date:2011-04-27
Release date:2016-01-20
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (20 Å), SOLID-STATE NMR, SOLUTION SCATTERING
Cite:N-terminal domain of {alpha}B-crystallin provides a conformational switch for multimerization and structural heterogeneity.
Proc.Natl.Acad.Sci.USA, 108, 2011
3UKL
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BU of 3ukl by Molmil
Crystal structure of UDP-galactopyranose mutase from Aspergillus fumigatus in complex with UDP
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, UDP-galactopyranose mutase, ...
Authors:Van Straaten, K.E, Sanders, D.A.R.
Deposit date:2011-11-09
Release date:2012-02-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structural Insight into the Unique Substrate Binding Mechanism and Flavin Redox State of UDP-galactopyranose Mutase from Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
3T6F
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BU of 3t6f by Molmil
Biotin complex of Y54F core streptavidin
Descriptor: BIOTIN, BIOTIN-D-SULFOXIDE, GLYCEROL, ...
Authors:Baugh, L, Le Trong, I, Cerutti, D.S, Mehta, N, Gulich, S, Stayton, P.S, Stenkamp, R.E, Lybrand, T.P.
Deposit date:2011-07-28
Release date:2011-12-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Second-Contact Shell Mutation Diminishes Streptavidin-Biotin Binding Affinity through Transmitted Effects on Equilibrium Dynamics.
Biochemistry, 51, 2012
3T6L
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BU of 3t6l by Molmil
Y54F mutant of core streptavidin
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Streptavidin
Authors:Baugh, L, Le Trong, I, Stayton, P.S, Stenkamp, R.E, Lybrand, T.P.
Deposit date:2011-07-28
Release date:2011-12-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Second-Contact Shell Mutation Diminishes Streptavidin-Biotin Binding Affinity through Transmitted Effects on Equilibrium Dynamics.
Biochemistry, 51, 2012
4BLL
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BU of 4bll by Molmil
Crystal Structure of Fungal Versatile Peroxidase I from Pleurotus ostreatus - Crystal Form II
Descriptor: CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, VERSATILE PEROXIDASE I, ...
Authors:Medrano, F.J, Romero, A.
Deposit date:2013-05-03
Release date:2014-01-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.099 Å)
Cite:Ligninolytic Peroxidase Genes in the Oyster Mushroom Genome: Heterologous Expression, Molecular Structure, Catalytic and Stability Properties, and Lignin-Degrading Ability.
Biotechnol.Biofuels, 7, 2014
3UON
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BU of 3uon by Molmil
Structure of the human M2 muscarinic acetylcholine receptor bound to an antagonist
Descriptor: (3R)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate, CHLORIDE ION, Human M2 muscarinic acetylcholine, ...
Authors:Haga, K, Kruse, A.C, Asada, H, Yurugi-Kobayashi, T, Shiroishi, M, Zhang, C, Weis, W.I, Okada, T, Kobilka, B.K, Haga, T, Kobayashi, T.
Deposit date:2011-11-16
Release date:2012-02-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the human M2 muscarinic acetylcholine receptor bound to an antagonist.
Nature, 482, 2012
4AZJ
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BU of 4azj by Molmil
Structural basis of L-phosphoserine binding to Bacillus alcalophilus phosphoserine aminotransferase
Descriptor: CHLORIDE ION, PHOSPHOSERINE, PHOSPHOSERINE AMINOTRANSFERASE, ...
Authors:Battula, P, Dubnovitsky, A.P, Papageorgiou, A.C.
Deposit date:2012-06-26
Release date:2013-05-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Basis of L-Phosphoserine Binding to Bacillus Alcalophilus Phosphoserine Aminotransferase
Acta Crystallogr.,Sect.D, 69, 2013
3UOY
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BU of 3uoy by Molmil
Crystal Structure of OTEMO complex with FAD and NADP (form 1)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OTEMO, ...
Authors:Shi, R, Matte, A, Cygler, M, Lau, P.
Deposit date:2011-11-17
Release date:2012-02-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cloning, Baeyer-Villiger biooxidations, and structures of the camphor pathway 2-oxo-{Delta}(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A monooxygenase of Pseudomonas putida ATCC 17453.
Appl.Environ.Microbiol., 78, 2012
3NLO
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BU of 3nlo by Molmil
Structure of neuronal nitric oxide synthase R349A mutant heme domain in complex with 6-{{(3'S,4'R)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine
Descriptor: 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ...
Authors:Li, H, Delker, S.L, Poulos, T.L.
Deposit date:2010-06-21
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Exploration of the Active Site of Neuronal Nitric Oxide Synthase by the Design and Synthesis of Pyrrolidinomethyl 2-Aminopyridine Derivatives.
J.Med.Chem., 53, 2010
4BLJ
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BU of 4blj by Molmil
Galectin-3c in complex with Bisamido-thiogalactoside derivate 2
Descriptor: Bis-(3-deoxy-3-(3-methoxy-benzamido)-b-D-galactopyranosyl)-sulfide, GALECTIN-3
Authors:Noresson, A.L, Oberg, C.T, Engstrom, O, Hakansson, M, Logan, D.T, Leffler, H, Nilsson, U.J.
Deposit date:2013-05-03
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Controlling Protein Conformation Through Electronic Fine-Tuning of Arginine-Arene Interactions: Synthetic, Structural, and Biological Studies
To be Published
3IYH
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BU of 3iyh by Molmil
P22 procapsid coat protein structures reveal a novel mechanism for capsid maturation: Stability without auxiliary proteins or chemical cross-links
Descriptor: Coat protein
Authors:Parent, K.N, Khayat, R, Tu, L.H, Suhanovsky, M.M, Cortines, J.R, Teschke, C.M, Johnson, J.E, Baker, T.S.
Deposit date:2009-12-14
Release date:2010-03-31
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (8.2 Å)
Cite:P22 coat protein structures reveal a novel mechanism for capsid maturation: stability without auxiliary proteins or chemical crosslinks
Structure, 18, 2010
3UTW
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BU of 3utw by Molmil
Crystal structure of bacteriorhodopsin mutant P50A/Y57F
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bacteriorhodopsin, RETINAL, ...
Authors:Cao, Z, Bowie, J.U.
Deposit date:2011-11-27
Release date:2012-05-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Shifting hydrogen bonds may produce flexible transmembrane helices.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UU3
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BU of 3uu3 by Molmil
The GLIC pentameric Ligand-Gated Ion Channel Loop2-20' oxidized mutant in a locally-closed conformation (LC1 subtype)
Descriptor: DODECYL-BETA-D-MALTOSIDE, Glr4197 protein
Authors:Sauguet, L, Nury, H, Corringer, P.J, Delarue, M.
Deposit date:2011-11-28
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:A locally closed conformation of a bacterial pentameric proton-gated ion channel.
Nat.Struct.Mol.Biol., 19, 2012
5XJH
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BU of 5xjh by Molmil
Crystal structure of PETase from Ideonella sakaiensis
Descriptor: Poly(ethylene terephthalate) hydrolase
Authors:Joo, S, Kim, K.-J.
Deposit date:2017-05-01
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural insight into molecular mechanism of poly(ethylene terephthalate) degradation.
Nat Commun, 9, 2018
3NQS
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BU of 3nqs by Molmil
Crystal Structure of Inducible Nitric Oxide Synthase with N-Nitrosated-pterin
Descriptor: 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, ...
Authors:Rosenfeld, R.J, Getzoff, E.D, Tainer, J.A.
Deposit date:2010-06-29
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Nitric-oxide synthase forms N-NO-pterin and S-NO-cys: implications for activity, allostery, and regulation.
J.Biol.Chem., 285, 2010
3TF2
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BU of 3tf2 by Molmil
Crystal structure of the cap free human translation initiation factor eIF4E
Descriptor: Eukaryotic translation initiation factor 4E, UNKNOWN ATOM OR ION
Authors:Siddiqui, N, Tempel, W, Nedyalkova, L, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Borden, K.L.B, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2011-08-15
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into the allosteric effects of 4EBP1 on the eukaryotic translation initiation factor eIF4E.
J.Mol.Biol., 415, 2012
5XN0
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BU of 5xn0 by Molmil
HIV-1 reverse transcriptase Q151M:DNA binary complex
Descriptor: 38-MER DNA aptamer, GLYCEROL, Pol protein, ...
Authors:Yasutake, Y, Tamura, N, Hayashi, H, Maeda, K.
Deposit date:2017-05-17
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.596 Å)
Cite:HIV-1 with HBV-associated Q151M substitution in RT becomes highly susceptible to entecavir: structural insights into HBV-RT inhibition by entecavir.
Sci Rep, 8, 2018
4BKP
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BU of 4bkp by Molmil
Crystal structure of human GDP-L-fucose synthase with bound NADP
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, GDP-L-FUCOSE SYNTHASE, ...
Authors:Vollmar, M, Shafqat, N, Rojkova, A, Krojer, T, Bradley, A, Raynor, J.W, Kavanagh, K, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U, Yue, W.W.
Deposit date:2013-04-29
Release date:2013-06-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Human Gdp-L-Fucose Synthase with Bound Nadp
To be Published
3UJG
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BU of 3ujg by Molmil
Crystal structure of SnRK2.6 in complex with HAB1
Descriptor: MAGNESIUM ION, Protein phosphatase 2C 16, SULFATE ION, ...
Authors:Zhou, X.E, Soon, F.-F, Ng, L.-M, Kovach, A, Tan, M.H.E, Suino-Powell, K.M, He, Y, Xu, Y, Brunzelle, J.S, Li, J, Melcher, K, Xu, H.E.
Deposit date:2011-11-07
Release date:2012-02-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular mimicry regulates ABA signaling by SnRK2 kinases and PP2C phosphatases.
Science, 335, 2012
4BLK
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BU of 4blk by Molmil
Crystal Structure of Fungal Versatile Peroxidase I from Pleurotus ostreatus - Crystal Form I
Descriptor: CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, VERSATILE PEROXIDASE I
Authors:Medrano, F.J, Romero, A.
Deposit date:2013-05-03
Release date:2014-01-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.049 Å)
Cite:Ligninolytic Peroxidase Genes in the Oyster Mushroom Genome: Heterologous Expression, Molecular Structure, Catalytic and Stability Properties, and Lignin-Degrading Ability.
Biotechnol.Biofuels, 7, 2014
3TH3
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BU of 3th3 by Molmil
Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+
Descriptor: CALCIUM ION, CHLORIDE ION, Coagulation factor VII heavy chain, ...
Authors:Vadivel, K, Agah, S, Cascio, D, Padmanabhan, K, Bajaj, S.P.
Deposit date:2011-08-18
Release date:2012-08-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+
To be Published
4B1Y
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BU of 4b1y by Molmil
Structure of the Phactr1 RPEL-3 bound to G-actin
Descriptor: ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Mouilleron, S, Wiezlak, M, O'Reilly, N, Treisman, R, McDonald, N.Q.
Deposit date:2012-07-12
Release date:2013-07-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Structures of the Phactr1 RPEL domain and RPEL motif complexes with G-actin reveal the molecular basis for actin binding cooperativity.
Structure, 20, 2012
3UKQ
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BU of 3ukq by Molmil
Crystal structure of R327K UDP-galactopyranose mutase from Aspergillus fumigatus in complex with UDPgalp
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GALACTOSE-URIDINE-5'-DIPHOSPHATE, UDP-galactopyranose mutase
Authors:Van Straaten, K.E, Sanders, D.A.R.
Deposit date:2011-11-09
Release date:2012-02-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural Insight into the Unique Substrate Binding Mechanism and Flavin Redox State of UDP-galactopyranose Mutase from Aspergillus fumigatus.
J.Biol.Chem., 287, 2012

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