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5J7A
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BU of 5j7a by Molmil
Bacteriorhodopsin ground state structure obtained with Serial Femtosecond Crystallography
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL
Authors:Nogly, P, Panneels, V, Nelson, G, Gati, C, Kimura, T, Milne, C, Milathianaki, D, Kubo, M, Wu, W, Conrad, C, Coe, J, Bean, R, Zhao, Y, Bath, P, Dods, R, Harimoorthy, R, Beyerlein, K.R, Rheinberger, J, James, D, DePonte, D, Li, C, Sala, L, Williams, G, Hunter, M, Koglin, J.E, Berntsen, P, Nango, E, Iwata, S, Chapman, H.N, Fromme, P, Frank, M, Abela, R, Boutet, S, Barty, A, White, T.A, Weierstall, U, Spence, J, Neutze, R, Schertler, G, Standfuss, J.
Deposit date:2016-04-06
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Lipidic cubic phase injector is a viable crystal delivery system for time-resolved serial crystallography.
Nat Commun, 7, 2016
6XKG
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BU of 6xkg by Molmil
Crystal structure of 3-O-Sulfotransferase isoform 3 in complex with 8mer oligosaccharide with 6S sulfation
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, ...
Authors:Pedersen, L.C, Liu, J, Wander, R.
Deposit date:2020-06-26
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Deciphering the substrate recognition mechanisms of the heparan sulfate 3- O -sulfotransferase-3.
Rsc Chem Biol, 2, 2021
6XL8
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BU of 6xl8 by Molmil
Crystal structure of 3-O-Sulfotransferase isoform 3 in complex with 8mer oligosaccharide with no 6S sulfation
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Heparan sulfate glucosamine 3-O-sulfotransferase 3A1, IODIDE ION, ...
Authors:Pedersen, L.C, Liu, J, Wander, R.
Deposit date:2020-06-28
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Deciphering the substrate recognition mechanisms of the heparan sulfate 3- O -sulfotransferase-3.
Rsc Chem Biol, 2, 2021
5B4X
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BU of 5b4x by Molmil
Crystal structure of the ApoER2 ectodomain in complex with the Reelin R56 fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Low density lipoprotein receptor-related protein 8, ...
Authors:Yasui, N, Hirai, H, Yamashita, K, Takagi, J, Nogi, T.
Deposit date:2016-04-20
Release date:2017-04-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of the ectodomain from a LDLR close homologue in complex with its physiological ligand.
To Be Published
5G0O
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BU of 5g0o by Molmil
Structure of rat neuronal nitric oxide synthase D597N mutant heme domain in complex with 4-METHYL-6-(2-(5-(4-METHYLPIPERAZIN-1-YL) PYRIDIN-3-YL)ETHYL)PYRIDIN-2-AMINE
Descriptor: 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2016-03-21
Release date:2016-06-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Electrostatic Control of Isoform Selective Inhibitor Binding in Nitric Oxide Synthase.
Biochemistry, 55, 2016
4R9C
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BU of 4r9c by Molmil
Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.5, PEG6000)
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y.
Deposit date:2014-09-04
Release date:2015-03-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:The water network in galectin-3 ligand binding site guides inhibitor design.
Acta Biochim.Biophys.Sin., 47, 2015
6XFT
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BU of 6xft by Molmil
Crystal Structure of the Cys-NO Modified YopH Tyrosine Phosphatase
Descriptor: Tyrosine-protein phosphatase YopH
Authors:Fernandes, R, Pereira, H.M, Thiemann, O, Terenzi, H.
Deposit date:2020-06-16
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of the Cys-NO modified YopH tyrosine phosphatase.
Biochim Biophys Acta Proteins Proteom, 1870, 2022
6XK4
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BU of 6xk4 by Molmil
Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(((3-(6-aminopyridin-2-yl)propyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
Descriptor: 7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, GLYCEROL, ...
Authors:Lewis, M.C, Poulos, T.L.
Deposit date:2020-06-25
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
5IYA
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BU of 5iya by Molmil
Human core-PIC in the closed state
Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB10, DNA-directed RNA polymerase II subunit RPB11-a, ...
Authors:He, Y, Yan, C, Fang, J, Inouye, C, Tjian, R, Ivanov, I, Nogales, E.
Deposit date:2016-03-24
Release date:2016-05-18
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (5.4 Å)
Cite:Near-atomic resolution visualization of human transcription promoter opening.
Nature, 533, 2016
3LNZ
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BU of 3lnz by Molmil
Crystal structure of human MDM2 with a 12-mer peptide inhibitor PMI (N8A mutant)
Descriptor: 12-mer peptide inhibitor, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2
Authors:Pazgier, M, Lu, W.
Deposit date:2010-02-03
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Systematic mutational analysis of peptide inhibition of the p53-MDM2/MDMX interactions.
J.Mol.Biol., 398, 2010
6XK8
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BU of 6xk8 by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-((3-((((6-aminopyridin-2-yl)methyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
Descriptor: 7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Lewis, M.C, Poulos, T.L.
Deposit date:2020-06-25
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
7P8L
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BU of 7p8l by Molmil
Crystal structure of Pyrococcus abyssi 8-oxoguanine DNA glycosylase (PabAGOG) in complex with dsDNA containing cytosine opposite to 8-oxoG
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*CP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*(8OG)P*TP*TP*TP*CP*T)-3'), ...
Authors:Coste, F, Flament, D, Castaing, B.
Deposit date:2021-07-23
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural and functional determinants of the archaeal 8-oxoguanine-DNA glycosylase AGOG for DNA damage recognition and processing.
Nucleic Acids Res., 50, 2022
4QPN
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BU of 4qpn by Molmil
Crystal Structure of Human Methyltransferase-Like Protein 21B
Descriptor: Protein-lysine methyltransferase METTL21B, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
Authors:Tempel, W, Hong, B.S, Seitova, A, He, H, Li, Y, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2014-06-24
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal Structure of Human Methyltransferase-Like Protein 21B
TO BE PUBLISHED
7P8J
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BU of 7p8j by Molmil
Receptor-binding domain (RBD) of the spike protein of the bat coronavirus RaTG13 virus in complex with the extracellular domain of human angiotensin-converting enzyme 2 (ACE2) - Crystal form 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein, ...
Authors:Scietti, L, Castelli, M, Faravelli, S, Clementi, N, Mancini, N, Forneris, F.
Deposit date:2021-07-22
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (6.585 Å)
Cite:Constrained Evolution of SARS-CoV-2 Spike in Rhinolophus affinis Bats
To Be Published
6XK7
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BU of 6xk7 by Molmil
Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(2-(6-aminopyridin-2-yl)ethyl)phenoxy)methyl)quinolin-2-amine
Descriptor: 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine, CHLORIDE ION, GLYCEROL, ...
Authors:Lewis, M.C, Poulos, T.L.
Deposit date:2020-06-25
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
7P8I
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BU of 7p8i by Molmil
Receptor-binding domain (RBD) of the spike protein of the bat coronavirus RaTG13 virus in complex with the extracellular domain of human angiotensin-converting enzyme 2 (ACE2) - Crystal form 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Scietti, L, Castelli, M, Faravelli, S, Clementi, N, Mancini, N, Forneris, F.
Deposit date:2021-07-22
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Evidence of SARS-CoV-2 Direct Evolution in R. affinis Bats Driven by Affinity and Dynamics Optimization of the Spike Protein
To Be Published
6XK3
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BU of 6xk3 by Molmil
Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(((pyridin-2-ylmethyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
Descriptor: 7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Lewis, M.C, Poulos, T.L.
Deposit date:2020-06-25
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
5B1A
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BU of 5b1a by Molmil
Bovine heart cytochrome c oxidase in the fully oxidized state at 1.5 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:2020-02-26
Method:X-RAY DIFFRACTION (1.5 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
5MDV
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BU of 5mdv by Molmil
Structure of ArfA and RF2 bound to the 70S ribosome (accommodated state)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:James, N.R, Brown, A, Gordiyenko, Y, Ramakrishnan, V.
Deposit date:2016-11-13
Release date:2016-12-14
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Translational termination without a stop codon.
Science, 354, 2016
5MHL
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BU of 5mhl by Molmil
FXIIIa in complex with the inhibitor Mi0621
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Coagulation factor XIII A chain, ...
Authors:Stieler, M, Heine, A, Klebe, G.
Deposit date:2016-11-24
Release date:2017-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:FXIIIa in complex with the inhibitor Mi0621
To Be Published
5MJ6
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BU of 5mj6 by Molmil
Ligand-induced conformational change of Insulin-regulated aminopeptidase: insights on catalytic mechanism and active site plasticity.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ...
Authors:Mpakali, A, Stratikos, E, Saridakis, E, Giastas, P.
Deposit date:2016-11-30
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Ligand-Induced Conformational Change of Insulin-Regulated Aminopeptidase: Insights on Catalytic Mechanism and Active Site Plasticity.
J. Med. Chem., 60, 2017
6XK6
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BU of 6xk6 by Molmil
Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(((2-(pyridin-2-yl)ethyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
Descriptor: 7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, GLYCEROL, ...
Authors:Lewis, M.C, Poulos, T.L.
Deposit date:2020-06-25
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
5MI7
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BU of 5mi7 by Molmil
BtGH84 mutant with covalent modification by MA4 in complex with PUGNAc
Descriptor: CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GlcNAcase BT_4395, ...
Authors:Darby, J.F, Davies, G.J, Hubbard, R.E.
Deposit date:2016-11-27
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Increase of enzyme activity through specific covalent modification with fragments.
Chem Sci, 8, 2017
5FS8
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BU of 5fs8 by Molmil
Crystal structure of the G308E mutant of human apoptosis inducing factor
Descriptor: APOPTOSIS-INDUCING FACTOR 1, MITOCHONDRIAL, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Sevrioukova, I.
Deposit date:2015-12-31
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure/Function Relations in Aifm1 Variants Associated with Neurodegenerative Disorders
J.Mol.Biol., 428, 2016
6XK5
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BU of 6xk5 by Molmil
Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(((4-(6-aminopyridin-2-yl)butyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
Descriptor: 7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, GLYCEROL, ...
Authors:Lewis, M.C, Poulos, T.L.
Deposit date:2020-06-25
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published

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