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4UGI
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BU of 4ugi by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N1-(6-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-2-yl)-N1,N2- dimethylethane-1,2-diamine
Descriptor: CHLORIDE ION, GLYCEROL, IMIDAZOLE, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UC9
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BU of 4uc9 by Molmil
N-terminal globular domain of the RSV Nucleoprotein in complex with C- terminal dipeptide of the Phosphoprotein
Descriptor: ASPARTIC ACID, NUCLEOPROTEIN, PHENYLALANINE, ...
Authors:Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S.
Deposit date:2014-12-03
Release date:2015-08-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
4UCN
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BU of 4ucn by Molmil
CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A FRAGMENT
Descriptor: 2-PIPERAZIN-1-YL-ANILINE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
Authors:Robinson, D.A, Wyatt, P.G.
Deposit date:2014-12-04
Release date:2015-05-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification and Structure Solution of Fragment Hits Against Kinetoplastid N-Myristoyltransferase
Acta Crystallogr.,Sect.F, 71, 2015
6R70
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BU of 6r70 by Molmil
Endogeneous native human 20S proteasome
Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
Authors:Schmidli, C, Albiez, S, Rima, L, Righetto, R, Mohammed, I, Oliva, P, Kovacik, L, Stahlberg, H, Braun, T.
Deposit date:2019-03-28
Release date:2019-07-03
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Microfluidic protein isolation and sample preparation for high-resolution cryo-EM.
Proc.Natl.Acad.Sci.USA, 116, 2019
7S6T
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BU of 7s6t by Molmil
Complex structure of Methane monooxygenase hydroxylase and regulatory subunit H33A
Descriptor: 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ...
Authors:Johns, J.C, Banerjee, R, Semonis, M.M, Shi, K, Aihara, H, Lipscomb, J.D.
Deposit date:2021-09-14
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:X-ray Crystal Structures of Methane Monooxygenase Hydroxylase Complexes with Variants of Its Regulatory Component: Correlations with Altered Reaction Cycle Dynamics.
Biochemistry, 61, 2022
4UE6
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BU of 4ue6 by Molmil
Structure of methylene blue-treated anaerobically purified D. fructosovorans NiFe-hydrogenase
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ...
Authors:Volbeda, A, Martin, L, Liebgott, P.-P, Fontecilla-Camps, J.C.
Deposit date:2014-12-16
Release date:2015-03-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:[Nife]-Hydrogenases Revisited: Nickel-Carboxamido Bond Formation in a Variant with Accrued O2-Tolerance and a Tentative Re-Interpretation of Ni-Si States.
Metallomics, 7, 2015
4PN7
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BU of 4pn7 by Molmil
Crystal Structure of the TFIIH p34 N-terminal Domain
Descriptor: Putative transcription factor
Authors:Schmitt, D.R, Kuper, J, Elias, A, Kisker, C.
Deposit date:2014-05-23
Release date:2014-07-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:The Structure of the TFIIH p34 Subunit Reveals a Von Willebrand Factor A Like Fold.
Plos One, 9, 2014
6R7W
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BU of 6r7w by Molmil
Tannerella forsythia mature mirolysin in complex with a cleaved peptide.
Descriptor: CALCIUM ION, CITRIC ACID, ETHANOL, ...
Authors:Rodriguez-Banqueri, A, Guevara, T, Ksiazek, M, Potempa, J, Gomis-Ruth, F.X.
Deposit date:2019-03-29
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-based mechanism of cysteine-switch latency and of catalysis by pappalysin-family metallopeptidases.
Iucrj, 7, 2020
7S6R
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BU of 7s6r by Molmil
Complex structure of Methane monooxygenase hydroxylase and regulatory subunit with H5A mutation
Descriptor: 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ...
Authors:Johns, J.C, Banerjee, R, Semonis, M.M, Shi, K, Aihara, H, Lipscomb, J.D.
Deposit date:2021-09-14
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:X-ray Crystal Structures of Methane Monooxygenase Hydroxylase Complexes with Variants of Its Regulatory Component: Correlations with Altered Reaction Cycle Dynamics.
Biochemistry, 61, 2022
4UG3
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BU of 4ug3 by Molmil
B. subtilis GpsB N-terminal Domain
Descriptor: CELL CYCLE PROTEIN GPSB
Authors:Rismondo, J, Cleverley, R.M, Lane, H.V, Grohennig, S, Steglich, A, Moller, L, Krishna Mannala, G, Hain, T, Lewis, R.J, Halbedel, S.
Deposit date:2015-03-21
Release date:2015-11-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the Bacterial Cell Division Determinant Gpsb and its Interaction with Penicillin Binding Proteins.
Mol.Microbiol., 99, 2016
6R82
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BU of 6r82 by Molmil
Crystal structure of the TLDc domain of Skywalker/TBC1D24 from Drosophila melanogaster
Descriptor: GTPase-activating protein skywalker
Authors:Fischer, B, Paesmans, J, Versees, W.
Deposit date:2019-03-30
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.046 Å)
Cite:TBC1D24-TLDc-related epilepsy exercise-induced dystonia: rescue by antioxidants in a disease model.
Brain, 142, 2019
7S6S
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BU of 7s6s by Molmil
Complex structure of Methane monooxygenase hydroxylase and regulatory subunit DBL1
Descriptor: 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ...
Authors:Johns, J.C, Banerjee, R, Semonis, M.M, Shi, K, Aihara, H, Lipscomb, J.D.
Deposit date:2021-09-14
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:X-ray Crystal Structures of Methane Monooxygenase Hydroxylase Complexes with Variants of Its Regulatory Component: Correlations with Altered Reaction Cycle Dynamics.
Biochemistry, 61, 2022
4UGD
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BU of 4ugd by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-((((2S)-1-amino-4-((6-amino-4-methylpyridin-2-yl)methoxy)butan-2-yl) oxy)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[({(2S)-1-amino-4-[(6-amino-4-methylpyridin-2-yl)methoxy]butan-2-yl}oxy)methyl]-4-methylpyridin-2-amine, CHLORIDE ION, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
7SEO
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BU of 7seo by Molmil
Crystal Structure of Caspase-3 with Peptide Inhibitor Ac-VDV(DAB)D-CHO
Descriptor: ACE-VAL-ASP-VAL-DAB-ASP, Caspase-3 subunit p12, Caspase-3 subunit p17
Authors:Fuller, J.L, Finzel, B.C.
Deposit date:2021-09-30
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314.
Acs Pharmacol Transl Sci, 5, 2022
6R3A
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BU of 6r3a by Molmil
BACTERIOPHAGE SPP1 MATURE CAPSID PROTEIN
Descriptor: Major capsid protein
Authors:Ignatiou, A, El Sadek Fadel, M, Buerger, J, Mielke, T, Topf, M, Tavares, P.
Deposit date:2019-03-19
Release date:2019-10-23
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural transitions during the scaffolding-driven assembly of a viral capsid.
Nat Commun, 10, 2019
4UDT
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BU of 4udt by Molmil
T cell receptor (TRAV22,TRBV7-9) structure
Descriptor: GLYCEROL, PROTEIN TRBV7-9, T-CELL RECEPTOR BETA-2 CHAIN C REGION, ...
Authors:Rodstrom, K.E.J, Regenthal, P, Lindkvist-Petersson, K.
Deposit date:2014-12-11
Release date:2015-06-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure of Staphylococcal Enterotoxin E in Complex with Tcr Defines the Role of Tcr Loop Positioning in Superantigen Recognition.
Plos One, 10, 2015
7DJ2
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BU of 7dj2 by Molmil
Crystal structure of the G26C/E290S mutant of LeuT
Descriptor: LEUCINE, Na(+):neurotransmitter symporter (Snf family), SODIUM ION, ...
Authors:Fan, J, Xiao, Y, Sun, Z, Zhou, X.
Deposit date:2020-11-19
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of LeuT reveal conformational dynamics in the outward-facing states.
J.Biol.Chem., 296, 2021
4PMP
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BU of 4pmp by Molmil
The structure of TrkA kinase bound to the inhibitor 1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea
Descriptor: 1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea, ACETATE ION, CHLORIDE ION, ...
Authors:Su, H.P.
Deposit date:2014-05-22
Release date:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Maximizing diversity from a kinase screen: identification of novel and selective pan-Trk inhibitors for chronic pain.
J.Med.Chem., 57, 2014
4UEW
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BU of 4uew by Molmil
Structure of H2-treated anaerobically purified D. fructosovorans NiFe- hydrogenase
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ...
Authors:Volbeda, A, Martin, L, Liebgott, P.-P, Fontecilla-Camps, J.C.
Deposit date:2014-12-20
Release date:2015-03-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:[NiFe]-hydrogenases revisited: nickel-carboxamido bond formation in a variant with accrued O2-tolerance and a tentative re-interpretation of Ni-SI states.
Metallomics, 7, 2015
6R4Q
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BU of 6r4q by Molmil
Crystal structure of the periplasmic nickel-binding protein NikA from Escherichia coli in complex with Ru(bpza)CO H2O Cl
Descriptor: ACETATE ION, CARBON MONOXIDE, CHLORIDE ION, ...
Authors:Cavazza, C, Menage, S.
Deposit date:2019-03-22
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the periplasmic nickel-binding protein NikA from Escherichia coli in complex with Ru(bpza)CO H2O Cl
To Be Published
7DJC
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BU of 7djc by Molmil
Crystal structure of the G26C/Q250A mutant of LeuT
Descriptor: LEUCINE, Na(+):neurotransmitter symporter (Snf family), SODIUM ION, ...
Authors:Fan, J, Xiao, Y, Sun, Z, Zhou, X.
Deposit date:2020-11-20
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Crystal structures of LeuT reveal conformational dynamics in the outward-facing states.
J.Biol.Chem., 296, 2021
4UGE
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BU of 4uge by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 4-methyl-6-((3-(piperidin-4-ylmethoxy)phenoxy)methyl)pyridin-2-amine
Descriptor: 4-methyl-6-{[3-(piperidin-4-ylmethoxy)phenoxy]methyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
4UF5
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BU of 4uf5 by Molmil
Crystal structure of UCH-L5 in complex with inhibitory fragment of INO80G
Descriptor: NUCLEAR FACTOR RELATED TO KAPPA-B-BINDING PROTEIN, UBIQUITIN CARBOXYL-TERMINAL HYDROLASE ISOZYME L5
Authors:Sahtoe, D.D, Van Dijk, W.J, El Oualid, F, Ekkebus, R, Ovaa, H, Sixma, T.K.
Deposit date:2014-12-23
Release date:2015-03-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Mechanism of Uch-L5 Activation and Inhibition by Deubad Domains in Rpn13 and Ino80G.
Mol.Cell, 57, 2015
4UPK
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BU of 4upk by Molmil
Phosphonate monoester hydrolase SpPMH from Silicibacter pomeroyi
Descriptor: PHOSPHONATE MONOESTER HYDROLASE
Authors:Valkov, E, van Loo, B, Hollfelder, F, Hyvonen, M.
Deposit date:2014-06-17
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Balancing Specificity and Promiscuity in Enzyme Evolution: Multidimensional Activity Transitions in the Alkaline Phosphatase Superfamily.
J.Am.Chem.Soc., 141, 2019
4UGC
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BU of 4ugc by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-(((2S)-3-aminopropane-1,2-diyl)bis(oxymethanediyl))bis(4- methylpyridin-2-amine)
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), CHLORIDE ION, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015

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