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4UH1
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BU of 4uh1 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3- yl)-N1,N2-dimethylethane-1,2-diamine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2-dimethylethane-1,2-diamine, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
6Q5T
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BU of 6q5t by Molmil
Crystal structure of Mycolicibacterium hassiacum glucosylglycerate hydrolase (MhGgH) - apo form
Descriptor: hydrolase
Authors:Cereija, T.B, Macedo-Ribeiro, S, Pereira, P.J.B.
Deposit date:2018-12-09
Release date:2019-05-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:The structural characterization of a glucosylglycerate hydrolase provides insights into the molecular mechanism of mycobacterial recovery from nitrogen starvation.
Iucrj, 6, 2019
6K2U
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BU of 6k2u by Molmil
Crystal structure of Thr66 ADP-ribosylated ubiquitin
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, MAGNESIUM ION, Polyubiquitin-C, ...
Authors:Wang, X, Zhou, Y, Zhu, Y.
Deposit date:2019-05-15
Release date:2020-03-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.554 Å)
Cite:Threonine ADP-Ribosylation of Ubiquitin by a Bacterial Effector Family Blocks Host Ubiquitination.
Mol.Cell, 78, 2020
6PTZ
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BU of 6ptz by Molmil
Crystal structure of pigeon Cryptochrome 4 mutant Y319D in complex with flavin adenine dinucleotide
Descriptor: Cryptochrome-1, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Zoltowski, B.D, Chelliah, Y, Wickramaratne, A.C, Jarocha, L, Karki, N, Mouritsen, H, Hore, P.J, Hibbs, R.E, Green, C.B, Takahashi, J.S.
Deposit date:2019-07-16
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.793 Å)
Cite:Chemical and structural analysis of a photoactive vertebrate cryptochrome from pigeon.
Proc.Natl.Acad.Sci.USA, 116, 2019
1CH1
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BU of 1ch1 by Molmil
Recombinant sperm whale myoglobin L89G mutatnt (MET)
Descriptor: PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Liong, E.C, Phillips Jr, G.N.
Deposit date:1999-03-31
Release date:1999-04-09
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Waterproofing the heme pocket. Role of proximal amino acid side chains in preventing hemin loss from myoglobin
J.Biol.Chem., 276, 2001
1D0C
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BU of 1d0c by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 3-BROMO-7-NITROINDAZOLE (H4B FREE)
Descriptor: 3-BROMO-7-NITROINDAZOLE, ACETATE ION, BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN, ...
Authors:Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L.
Deposit date:1999-09-09
Release date:2001-11-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of nitric oxide synthase bound to nitro indazole reveals a novel inactivation mechanism.
Biochemistry, 40, 2001
1D1L
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BU of 1d1l by Molmil
CRYSTAL STRUCTURE OF CRO-F58W MUTANT
Descriptor: LAMBDA CRO REPRESSOR, SULFATE ION
Authors:Rupert, P.B, Mollah, A.K, Mossing, M.C, Matthews, B.W.
Deposit date:1999-09-17
Release date:1999-10-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structural basis for enhanced stability and reduced DNA binding seen in engineered second-generation Cro monomers and dimers.
J.Mol.Biol., 296, 2000
6K6W
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BU of 6k6w by Molmil
Structure of RNase J2 from Staphylococcus epidermidis
Descriptor: MANGANESE (II) ION, Ribonuclease J 2
Authors:Raj, R, Gopal, B.
Deposit date:2019-06-05
Release date:2020-10-07
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of RNase J1 from Staphylococcus epidermidis
J.Biol.Chem., 2020
6Q8K
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BU of 6q8k by Molmil
CLK1 with bound pyridoquinazoline
Descriptor: 1,2-ETHANEDIOL, Dual specificity protein kinase CLK1, ~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine
Authors:Schroeder, M, Tazarki, H, Zeinyeh, W, Esvan, Y.J, Khiari, J, Joesselin, B, Bach, S, Ruchaud, S, Anizon, F, Giraud, F, Moreau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2018-12-14
Release date:2019-02-20
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis.
Eur J Med Chem, 166, 2019
6K7N
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BU of 6k7n by Molmil
Cryo-EM structure of the human P4-type flippase ATP8A1-CDC50 (E1P state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Cell cycle control protein 50A, ...
Authors:Hiraizumi, M, Yamashita, K, Nishizawa, T, Nureki, O.
Deposit date:2019-06-07
Release date:2019-08-28
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Cryo-EM structures capture the transport cycle of the P4-ATPase flippase.
Science, 365, 2019
6PUT
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BU of 6put by Molmil
Structure of HIV cleaved synaptic complex (CSC) intasome bound with calcium
Descriptor: CALCIUM ION, Chimeric Sso7d and HIV-1 integrase, ZINC ION, ...
Authors:Lyumkis, D, Jozwik, I.K, Passos, D.
Deposit date:2019-07-18
Release date:2020-02-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for strand-transfer inhibitor binding to HIV intasomes.
Science, 367, 2020
4UM8
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BU of 4um8 by Molmil
Crystal structure of alpha V beta 6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, ...
Authors:Dong, X, Springer, T.A.
Deposit date:2014-05-15
Release date:2014-11-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.852 Å)
Cite:Structural Determinants of Integrin Beta-Subunit Specificity for Latent Tgf-Beta
Nat.Struct.Mol.Biol., 21, 2014
6PV4
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BU of 6pv4 by Molmil
Structure of CpGH84A
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Glycoside Hydrolase
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2019-07-19
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional analysis of four family 84 glycoside hydrolases from the opportunistic pathogen Clostridium perfringens.
Glycobiology, 30, 2019
4UJ0
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BU of 4uj0 by Molmil
Crystal structure of the tomato defensin TPP3
Descriptor: ACETATE ION, FLOWER-SPECIFIC GAMMA-THIONIN-LIKE PROTEIN/ACIDIC PROTEIN
Authors:Richter, V, Lay, F.T, Hulett, M.D, Kvansakul, M.
Deposit date:2015-04-07
Release date:2015-04-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Tomato Defensin Tpp3 Binds Phosphatidylinositol (4,5)-Bisphosphate Via a Conserved Dimeric Cationic Grip Conformation to Mediate Cell Lysis.
Mol.Cell.Biol., 35, 2015
4UH2
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BU of 4uh2 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(trifluoromethyl)phenyl)-N1,N2-dimethylethane-1,2-diamine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N1-(3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(TRIFLUOROMETHYL)PHENYL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-03-23
Release date:2015-07-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
1D41
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BU of 1d41 by Molmil
STABILIZATION OF Z-DNA BY DEMETHYLATION OF THYMINE BASES: 1.3 ANGSTROMS SINGLE-CRYSTAL STRUCTURE OF D(M5CGUAM5CG)
Descriptor: DNA (5'-D(*(5CM)P*GP*UP*AP*(5CM)P*G)-3'), MAGNESIUM ION
Authors:Zhou, G, Ho, P.S.
Deposit date:1991-05-07
Release date:1992-04-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Stabilization of Z-DNA by demethylation of thymine bases: 1.3-A single-crystal structure of d(m5CGUAm5CG).
Biochemistry, 29, 1990
6PX3
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BU of 6px3 by Molmil
Set2 bound to nucleosome
Descriptor: DNA (145-MER), Histone H2B 1.1, Histone H3, ...
Authors:Halic, M, Bilokapic, S.
Deposit date:2019-07-24
Release date:2019-08-28
Last modified:2019-09-04
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Nucleosome and ubiquitin position Set2 to methylate H3K36.
Nat Commun, 10, 2019
4UJ4
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BU of 4uj4 by Molmil
Crystal structure of human Rab11-Rabin8-FIP3
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Rab-3A-interacting protein, ...
Authors:Vetter, M, Lorentzen, E.
Deposit date:2015-04-08
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Structure of Rab11-FIP3-Rabin8 reveals simultaneous binding of FIP3 and Rabin8 effectors to Rab11.
Nat. Struct. Mol. Biol., 22, 2015
6K1F
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BU of 6k1f by Molmil
Crystal structure of the L-fucose isomerase from Raoultella sp.
Descriptor: L-fucose isomerase, MANGANESE (II) ION
Authors:Kim, I.J, Kim, D.H, Nam, K.H, Kim, K.H.
Deposit date:2019-05-10
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Enzymatic synthesis of l-fucose from l-fuculose using a fucose isomerase fromRaoultellasp. and the biochemical and structural analyses of the enzyme.
Biotechnol Biofuels, 12, 2019
6QBZ
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BU of 6qbz by Molmil
Solution structure of the N-terminal domain of the Staphylococcus aureus Hibernation Promoting Factor
Descriptor: Ribosome hibernation promoting factor
Authors:Usachev, K.S, Validov, S.Z, Khusainov, I.S, Klochkov, V.V, Aganov, A.V, Yusupov, M.M.
Deposit date:2018-12-25
Release date:2019-06-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of the N-terminal domain of the Staphylococcus aureus hibernation promoting factor.
J.Biomol.Nmr, 73, 2019
6Q0L
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BU of 6q0l by Molmil
Inferred intermediate I-7 (I-7-1) of the human antibody lineage 652 in complex with influenza hemagglutinin head domain of A/Beijing/262/95(H1N1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab lambda chain, ...
Authors:McCarthy, K.R, Harrison, S.C.
Deposit date:2019-08-01
Release date:2019-12-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Affinity maturation in a human humoral response to influenza hemagglutinin.
Proc.Natl.Acad.Sci.USA, 2019
6QCC
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BU of 6qcc by Molmil
Cryo-EM Atomic Structure of Broad Bean Stain Virus (BBSV)
Descriptor: Large coat-protein subunit, Small coat-protein subunit
Authors:Lecorre, F, Lai Jee Him, J, Blanc, S, Zeddam, J.-L, Trapani, S, Bron, P.
Deposit date:2018-12-27
Release date:2019-05-01
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:The cryo-electron microscopy structure of Broad Bean Stain Virus suggests a common capsid assembly mechanism among comoviruses.
Virology, 530, 2019
4UGS
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BU of 4ugs by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N,N'-(ethane-1,2-diylbis(oxybenzene-3,1-diyl))dithiophene-2- carboximidamide
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, N,N'-[ethane-1,2-diylbis(oxybenzene-3,1-diyl)]dithiophene-2-carboximidamide, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
6Q2D
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BU of 6q2d by Molmil
Crystal structure of Methanobrevibacter smithii Dph2 in complex with Methanobrevibacter smithii elongation factor 2
Descriptor: 2-(3-amino-3-carboxypropyl)histidine synthase, Elongation factor 2, IRON/SULFUR CLUSTER
Authors:Fenwick, M.K, Dong, M, Lin, H, Ealick, S.E.
Deposit date:2019-08-07
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:The Crystal Structure of Dph2 in Complex with Elongation Factor 2 Reveals the Structural Basis for the First Step of Diphthamide Biosynthesis.
Biochemistry, 58, 2019
4UOU
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BU of 4uou by Molmil
Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) - apo-form
Descriptor: DI(HYDROXYETHYL)ETHER, FUCOSE-SPECIFIC LECTIN FLEA
Authors:Houser, J, Komarek, J, Cioci, G, Varrot, A, Imberty, A, Wimmerova, M.
Deposit date:2014-06-10
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent.
Acta Crystallogr.,Sect.D, 71, 2015

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