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5C7G
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BU of 5c7g by Molmil
Crystal Structure of the b1 Domain of Human Neuropilin-1 in complex with a bicine molecule
Descriptor: BICINE, Neuropilin-1, SODIUM ION
Authors:Didierjean, C, Jelsch, C.
Deposit date:2015-06-24
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Design, synthesis and biological evaluation of new peptidomimetic compounds targeting NRP-1 receptor TO BE PUBLISHED
To Be Published
7W3E
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BU of 7w3e by Molmil
Bovine cytochrome c oxidese in CN-bound fully reduced state at 50 K
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Tsukihara, T, Shimada, A.
Deposit date:2021-11-25
Release date:2022-12-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystallographic cyanide-probing for cytochrome c oxidase reveals structural bases suggesting that a putative proton transfer H-pathway pumps protons.
J.Biol.Chem., 299, 2023
3L1O
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BU of 3l1o by Molmil
Crystal structure of monoclonal antibody MN423 Fab fragment with free combining site, crystallized in the presence of zinc
Descriptor: IMIDAZOLE, MONOCLONAL ANTIBODY FAB FRAGMENT MN423 H CHAIN, MONOCLONAL ANTIBODY FAB FRAGMENT MN423 L CHAIN, ...
Authors:Skrabana, R, Sevcik, J.
Deposit date:2009-12-14
Release date:2010-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Monoclonal antibody MN423 as a stable mold facilitates structure determination of disordered tau protein
J.Struct.Biol., 171, 2010
231D
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BU of 231d by Molmil
STRUCTURE OF A DNA-PORPHYRIN COMPLEX
Descriptor: CU(II)MESO(4-N-TETRAMETHYLPYRIDYL)PORPHYRIN, DNA (5'-D(*CP*GP*AP*TP*CP*G)-3'), SODIUM ION
Authors:Lipscomb, L.A, Zhou, F.X, Presnell, S.R, Woo, R.J, Peek, M.E, Plaskon, R.R, Williams, L.D.
Deposit date:1995-08-25
Release date:1996-03-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of DNA-porphyrin complex.
Biochemistry, 35, 1996
4A3R
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BU of 4a3r by Molmil
Crystal structure of Enolase from Bacillus subtilis.
Descriptor: CITRIC ACID, ENOLASE, SODIUM ION
Authors:Newman, J.A, Hewitt, L, Rodrigues, C, Solovyova, A.S, Harwood, C.R, Lewis, R.J.
Deposit date:2011-10-04
Release date:2012-08-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Dissection of the Network of Interactions that Links RNA Processing with Glycolysis in the Bacillus Subtilis Degradosome.
J.Mol.Biol., 416, 2012
3WH8
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BU of 3wh8 by Molmil
Crystal structure of GH1 beta-glucosidase Td2F2 isofagomine complex
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCEROL, ...
Authors:Jo, T, Fushinobu, S, Uchiyama, T, Yaoi, K.
Deposit date:2013-08-21
Release date:2014-09-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure and identification of a key amino acid for glucose tolerance, substrate specificity, and transglycosylation activity of metagenomic beta-glucosidase Td2F2.
Febs J., 283, 2016
6GL6
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BU of 6gl6 by Molmil
apo [FeFe]-hydrogenase HydA1 from Chlamydomonas reinhardtii, variant C377H
Descriptor: CHLORIDE ION, Fe-hydrogenase, IRON/SULFUR CLUSTER, ...
Authors:Kertess, L, Happe, T, Hofmann, E.
Deposit date:2018-05-23
Release date:2018-12-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:His-Ligation to the [4Fe-4S] Subcluster Tunes the Catalytic Bias of [FeFe] Hydrogenase.
J.Am.Chem.Soc., 141, 2019
6H7J
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BU of 6h7j by Molmil
ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND AGONIST ISOPRENALINE AND NANOBODY Nb80
Descriptor: Beta-1 adrenergic receptor, Camelid antibody fragment Nb80, HEGA-10, ...
Authors:Warne, T, Edwards, P.C, Dore, A.S, Leslie, A.G.W, Tate, C.G.
Deposit date:2018-07-31
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular basis for high-affinity agonist binding in GPCRs.
Science, 364, 2019
5CVP
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BU of 5cvp by Molmil
Structure of Xoo1075, a peptide deformylase from Xanthomonas oryzae pv oryze, in complex with fragment 571
Descriptor: 1-(4-chlorophenyl)-N-methylmethanesulfonamide, ACETATE ION, CADMIUM ION, ...
Authors:Ngo, H.P.T, Kang, L.W.
Deposit date:2015-07-27
Release date:2016-08-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Xoo1075, a peptide deformylase from Xanthomonas oryzae pv oryze, in complex with fragment 571
To Be Published
5DB6
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BU of 5db6 by Molmil
Structure of human DNA polymerase beta Host-Guest complex with the N7MG base paired with a dC
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*GP*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*(FMG)P*AP*TP*GP*CP*GP*A)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Koag, M.C, Lee, S.
Deposit date:2015-08-20
Release date:2015-11-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:N7 Methylation Alters Hydrogen-Bonding Patterns of Guanine in Duplex DNA.
J.Am.Chem.Soc., 137, 2015
5DBC
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BU of 5dbc by Molmil
Structure of human DNA polymerase beta Host-Guest complex with the dG base paired with a dG
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*GP*TP*CP*GP*CP*AP*TP*GP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Koag, M.C, Lee, S.
Deposit date:2015-08-21
Release date:2015-11-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:N7 Methylation Alters Hydrogen-Bonding Patterns of Guanine in Duplex DNA.
J.Am.Chem.Soc., 137, 2015
5BNK
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BU of 5bnk by Molmil
Crystal structure of T75C mutant of Triosephosphate isomerase from Plasmodium falciparum
Descriptor: 1,2-ETHANEDIOL, SODIUM ION, Triosephosphate isomerase
Authors:Bandyopadhyay, D, Murthy, M.R.N, Balaram, H, Balaram, P.
Deposit date:2015-05-26
Release date:2015-07-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Probing the role of highly conserved residues in triosephosphate isomerase - analysis of site specific mutants at positions 64 and 75 in the Plasmodial enzyme
Febs J., 282, 2015
5B1B
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BU of 5b1b by Molmil
Bovine heart cytochrome c oxidase in the fully reduced state at 1.6 angstrom resolution
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Yano, N, Muramoto, K, Shimada, A, Takemura, S, Baba, J, Fujisawa, H, Mochizuki, M, Shinzawa-Itoh, K, Yamashita, E, Tsukihara, T, Yoshikawa, S.
Deposit date:2015-12-01
Release date:2016-09-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Mg2+-containing Water Cluster of Mammalian Cytochrome c Oxidase Collects Four Pumping Proton Equivalents in Each Catalytic Cycle.
J.Biol.Chem., 291, 2016
5BR7
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BU of 5br7 by Molmil
Structure of UDP-galactopyranose mutase from Corynebacterium diphtheriae in complex with citrate ion
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Wangkanont, K, Kiessling, L.L, Forest, K.T.
Deposit date:2015-05-29
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Conformational Control of UDP-Galactopyranose Mutase Inhibition.
Biochemistry, 56, 2017
5AM9
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BU of 5am9 by Molmil
Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with amyloid-beta 10-16
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, CALCIUM ION, ...
Authors:Masuyer, G, Larmuth, K.M, Douglas, R.G, Sturrock, E.D, Acharya, K.R.
Deposit date:2015-03-10
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Kinetic and Structural Characterisation of Amyloid-Beta Metabolism by Human Angiotensin-1- Converting Enzyme (Ace)
FEBS J., 283, 2016
4AGA
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BU of 4aga by Molmil
Hofmeister effects of ionic liquids in protein crystallization: direct and water-mediated interactions
Descriptor: ACETATE ION, CHLORIDE ION, CHOLINE ION, ...
Authors:Mukhopadhyay, A, Carvalho, A.L, Romao, M.J.
Deposit date:2012-01-25
Release date:2012-07-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Hofmeister Effects of Ionic Liquids in Protein Crystallization: Direct and Water-Mediated Interactions
Cryst.Eng.Comm., 14, 2012
1QCH
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BU of 1qch by Molmil
STRUCTURE, DYNAMICS AND HYDRATION OF THE NOGALAMYCIN-D(ATGCAT)2 COMPLEX DETERMINED BY NMR AND MOLECULAR DYNAMICS SIMULATIONS IN SOLUTION
Descriptor: 5'-D(*AP*TP*GP*CP*AP*T)-3', NOGALAMYCIN, SODIUM ION
Authors:Williams, H.E.L, Searle, M.S.
Deposit date:1999-05-05
Release date:1999-08-02
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Structure, dynamics and hydration of the nogalamycin-d(ATGCAT)2Complex determined by NMR and molecular dynamics simulations in solution.
J.Mol.Biol., 290, 1999
7X5P
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BU of 7x5p by Molmil
Truncated VhChiP (1-19aa) in complex with doxycycline
Descriptor: (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Chitoporin, ...
Authors:Sanram, S, Robinson, C.R, Aunkham, A, Suginta, W.
Deposit date:2022-03-05
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure and function of truncated VhChiP
To Be Published
5DB7
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BU of 5db7 by Molmil
Structure of human DNA polymerase beta Host-Guest complex with the N7MG base paired with a dT
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*GP*TP*CP*GP*CP*AP*TP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*(FMG)P*AP*TP*GP*CP*GP*A)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Koag, M.C, Lee, S.
Deposit date:2015-08-21
Release date:2015-11-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.209 Å)
Cite:N7 Methylation Alters Hydrogen-Bonding Patterns of Guanine in Duplex DNA.
J.Am.Chem.Soc., 137, 2015
4AQP
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BU of 4aqp by Molmil
The structure of the AXH domain of ataxin-1.
Descriptor: ATAXIN-1, DI(HYDROXYETHYL)ETHER, SODIUM ION
Authors:Rees, M, Chen, Y.W, de Chiara, C, Pastore, A.
Deposit date:2012-04-19
Release date:2013-03-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.452 Å)
Cite:Self-Assembly and Conformational Heterogeneity of the Axh Domain of Ataxin-1: An Unusual Example of a Chameleon Fold
Biophys.J., 104, 2013
4ZUM
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BU of 4zum by Molmil
Crystal structure of acetylpolyamine amidohydrolase from Mycoplana ramosa in complex with a trifluoromethylketone inhibitor
Descriptor: 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol, Acetylpolyamine aminohydrolase, GLYCEROL, ...
Authors:Decroos, C, Christianson, D.W.
Deposit date:2015-05-17
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Design, Synthesis, and Evaluation of Polyamine Deacetylase Inhibitors, and High-Resolution Crystal Structures of Their Complexes with Acetylpolyamine Amidohydrolase.
Biochemistry, 54, 2015
4ALO
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BU of 4alo by Molmil
STRUCTURE AND PROPERTIES OF H1 CRUSTACYANIN FROM LOBSTER HOMARUS AMERICANUS
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, H1 APOCRUSTACYANIN, SODIUM ION, ...
Authors:Ferrari, M, Folli, C, Pincolini, E, Mcclintock, T.S, Roessle, M, Berni, R, Cianci, M.
Deposit date:2012-03-05
Release date:2012-08-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural Characterization of Recombinant Crustacyanin Subunits from the Lobster Homarus Americanus.
Acta Crystallogr.,Sect.F, 68, 2012
3X3X
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BU of 3x3x by Molmil
Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by phenylethylamine
Descriptor: 2-PHENYL-ETHANOL, COPPER (II) ION, GLYCEROL, ...
Authors:Okajima, T, Nakanishi, S, Murakawa, T, Kataoka, M, Hayashi, H, Hamaguchi, A, Nakai, T, Kawano, Y, Yamaguchi, H, Tanizawa, K.
Deposit date:2015-03-10
Release date:2015-08-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Probing the Catalytic Mechanism of Copper Amine Oxidase from Arthrobacter globiformis with Halide Ions.
J.Biol.Chem., 290, 2015
5CWL
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BU of 5cwl by Molmil
Crystal structure of de novo designed helical repeat protein DHR54
Descriptor: Designed helical repeat protein, SODIUM ION, TETRAETHYLENE GLYCOL, ...
Authors:Bhabha, G, Ekiert, D.C.
Deposit date:2015-07-28
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5D5D
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BU of 5d5d by Molmil
In meso in situ serial X-ray crystallography structure of AlgE at 100 K
Descriptor: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ...
Authors:Ma, P, Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-08-10
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016

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