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6F11
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BU of 6f11 by Molmil
GLIC mutant D86A
Descriptor: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Hu, H.D, Delarue, M.
Deposit date:2017-11-21
Release date:2018-01-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
6STS
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BU of 6sts by Molmil
Human myelin protein P2 mutant R30Q
Descriptor: Myelin P2 protein, PALMITIC ACID, SULFATE ION
Authors:Ruskamo, S, Lehtimaki, M, Kursula, P.
Deposit date:2019-09-11
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice.
J.Biol.Chem., 295, 2020
6SLI
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BU of 6sli by Molmil
Structure of the RagAB peptide transporter
Descriptor: (1R,4S,6R)-6-({[2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]OXY}METHYL)-4-HYDROXY-1-{[(15-METHYLHEXADECANOYL)OXY]METHYL}-4-OXIDO-7-OXO-3,5-DIOXA-8-AZA-4-PHOSPHAHEPTACOS-1-YL 15-METHYLHEXADECANOATE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ALA-SER-THR-THR-GLY-GLY-ASN-SER-GLN-ARG-GLY-SER-GLY, ...
Authors:Madej, M, Ranson, N.A, White, J.B.R.
Deposit date:2019-08-19
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis.
Nat Microbiol, 5, 2020
6F7I
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BU of 6f7i by Molmil
human MALT1(329-728) IN COMPLEX WITH MLT-747
Descriptor: 1-[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloranyl-6-pyrrolidin-1-ylcarbonyl-pyridin-3-yl)urea, GLYCEROL, MAGNESIUM ION, ...
Authors:Renatus, M, Renatus, M.
Deposit date:2017-12-09
Release date:2019-01-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:An allosteric MALT1 inhibitor is a molecular corrector rescuing function in an immunodeficient patient.
Nat. Chem. Biol., 15, 2019
3MBQ
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BU of 3mbq by Molmil
Crystal structure of deoxyuridine 5-triphosphate nucleotidohydrolase from Brucella melitensis, orthorhombic crystal form
Descriptor: 1,2-ETHANEDIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-03-25
Release date:2010-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of deoxyuridine 5-triphosphate nucleotidohydrolase from Brucella melitensis, orthorhombic crystal form
To be Published
3MCY
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BU of 3mcy by Molmil
Crystal structure of FimH lectin domain bound to biphenyl mannoside meta-methyl ester.
Descriptor: CALCIUM ION, CHLORIDE ION, FimH, ...
Authors:Ford, B.A, Hultgren, S.J.
Deposit date:2010-03-29
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-based drug design and optimization of mannoside bacterial FimH antagonists.
J.Med.Chem., 53, 2010
6F0I
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BU of 6f0i by Molmil
GLIC mutant E26A
Descriptor: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Hu, H.D, Delarue, M.
Deposit date:2017-11-20
Release date:2018-01-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
3MJ9
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BU of 3mj9 by Molmil
Crystal structure of JAML in complex with the stimulatory antibody HL4E10
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Junctional adhesion molecule-like, STIMULATORY HAMSTER ANTIBODY HL4E10 FAB HEAVY CHAIN, ...
Authors:Verdino, P, Wilson, I.A.
Deposit date:2010-04-12
Release date:2011-02-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Molecular insights into gamma delta T cell costimulation by an anti-JAML antibody.
Structure, 19, 2011
6T2B
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BU of 6t2b by Molmil
Glycoside hydrolase family 109 from Akkermansia muciniphila in complex with GalNAc and NAD+.
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, Glycosyl hydrolase family 109 protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Chaberski, E.K, Fredslund, F, Teze, D, Shuoker, B, Kunstmann, S, Karlsson, E.N, Hachem, M.A, Welner, D.H.
Deposit date:2019-10-08
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:The Catalytic Acid-Base in GH109 Resides in a Conserved GGHGG Loop and Allows for Comparable alpha-Retaining and beta-Inverting Activity in an N-Acetylgalactosaminidase from Akkermansia muciniphila
Acs Catalysis, 2020
6F0J
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BU of 6f0j by Molmil
GLIC mutant E26A
Descriptor: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Hu, H.D, Delarue, M.
Deposit date:2017-11-20
Release date:2018-01-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
6F13
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BU of 6f13 by Molmil
GLIC mutant E75A
Descriptor: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Hu, H.D, Delarue, M.
Deposit date:2017-11-21
Release date:2018-01-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
6T4D
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BU of 6t4d by Molmil
Crystal structure of Plasmodium falciparum Morn1
Descriptor: Morn1, ZINC ION
Authors:Grishkovskaya, I, Kostan, J, Sajko, S, Morriswood, B, Djinovic-Carugo, K.
Deposit date:2019-10-13
Release date:2020-11-18
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structures of three MORN repeat proteins and a re-evaluation of the proposed lipid-binding properties of MORN repeats.
Plos One, 15, 2020
6T5A
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BU of 6t5a by Molmil
Crystal structure of herpes simplex virus 1 pUL7:pUL51 complex
Descriptor: CHLORIDE ION, Cytoplasmic envelopment protein 1, GLYCEROL, ...
Authors:Butt, B.G, Graham, S.C.
Deposit date:2019-10-15
Release date:2020-05-20
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Insights into herpesvirus assembly from the structure of the pUL7:pUL51 complex.
Elife, 9, 2020
3M85
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BU of 3m85 by Molmil
Archaeoglobus fulgidus exosome y70a with RNA bound to the active site
Descriptor: 5'-R(*CP*UP*CP*CP*CP*C)-3', Probable exosome complex exonuclease 1, Probable exosome complex exonuclease 2, ...
Authors:Hartung, S, Hopfner, K.-P.
Deposit date:2010-03-17
Release date:2010-04-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Quantitative analysis of processive RNA degradation by the archaeal RNA exosome
Nucleic Acids Res., 38, 2010
6TNB
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BU of 6tnb by Molmil
X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 41
Descriptor: (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide, CHLORIDE ION, Dual specificity protein kinase TTK
Authors:Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M.
Deposit date:2019-12-06
Release date:2020-05-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.
J.Med.Chem., 63, 2020
6FHB
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BU of 6fhb by Molmil
Death-associated Protein Kinase 1 (DAPK1) catalytic and auto-regulatory domains with S289A and S308E mutations
Descriptor: ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Huart, A.-S, Wilmanns, M.
Deposit date:2018-01-12
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Molecular mechanisms behind DAPK regulation: how phosphorylation switches work
To Be Published
6FL9
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BU of 6fl9 by Molmil
The active form of a pentameric ion channel (sTeLIC) gated by alkaline pH - Wild type 2.3 Angstrom resolution
Descriptor: Cys-loop ligand-gated ion channel, TETRAETHYLENE GLYCOL, nonyl beta-D-glucopyranoside
Authors:Hu, H, Delarue, M.
Deposit date:2018-01-25
Release date:2018-05-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of a pentameric ion channel gated by alkaline pH show a widely open pore and identify a cavity for modulation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
1K8F
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BU of 1k8f by Molmil
CRYSTAL STRUCTURE OF THE HUMAN C-TERMINAL CAP1-ADENYLYL CYCLASE ASSOCIATED PROTEIN
Descriptor: ADENYLYL CYCLASE-ASSOCIATED PROTEIN
Authors:Patskovsky, Y.V, Chance, M, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2001-10-24
Release date:2003-07-01
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the actin binding domain of the cyclase-associated protein.
Biochemistry, 43, 2004
6FEQ
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BU of 6feq by Molmil
Structure of inhibitor-bound ABCG2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3(Fab) heavy chain variable domain, 5D3(Fab) light chain variable domain, ...
Authors:Jackson, S.M, Manolaridis, I, Kowal, J, Zechner, M, Altmann, K.H, Locher, K.P.
Deposit date:2018-01-03
Release date:2018-04-11
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of small-molecule inhibition of human multidrug transporter ABCG2.
Nat. Struct. Mol. Biol., 25, 2018
6FHA
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BU of 6fha by Molmil
Death-associated Protein Kinase 1 (DAPK1) catalytic and auto-regulatory domains with S289A and S308A mutations
Descriptor: Death-associated protein kinase 1
Authors:Huart, A.-S, Wilmanns, M.
Deposit date:2018-01-12
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular mechanisms behind DAPK regulation: how phosphorylation switches work
To Be Published
6TLZ
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BU of 6tlz by Molmil
N-Domain P40/P90 Mycoplasma pneumoniae complexed with 3'SL
Descriptor: Mgp-operon protein 3, N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ...
Authors:Vizarraga, D, Aparicio, D, Illanes, R, Fita, I, Perez-Luque, R, Martin, J.
Deposit date:2019-12-03
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae.
Nat Commun, 11, 2020
6FJY
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BU of 6fjy by Molmil
Crystal structure of CsuC-CsuE chaperone-tip adhesion subunit pre-assembly complex from archaic chaperone-usher Csu pili of Acinetobacter baumannii
Descriptor: CsuC, Protein CsuE
Authors:Pakharukova, N.A, Tuitilla, M, Paavilainen, S, Zavialov, A.V.
Deposit date:2018-01-23
Release date:2018-05-16
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural basis forAcinetobacter baumanniibiofilm formation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6FLI
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BU of 6fli by Molmil
The active form of a pentameric ion channel (sTeLIC) gated by alkaline pH - Co-crystallization with 4-bromo cinnamic acid
Descriptor: 3-(4-bromophenyl)propanoic acid, Cys-loop ligand-gated ion channel, nonyl beta-D-glucopyranoside
Authors:Hu, H, Delarue, M.
Deposit date:2018-01-26
Release date:2018-05-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of a pentameric ion channel gated by alkaline pH show a widely open pore and identify a cavity for modulation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6T5L
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BU of 6t5l by Molmil
MYO-1 from Myroides odoratimimus. Environmental metallo-beta-lactamases exhibit high enzymatic activity under zinc deprivation
Descriptor: MAGNESIUM ION, Subclass B1 metallo-beta-lactamase, ZINC ION
Authors:Frohlich, C.
Deposit date:2019-10-16
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural and biochemical characterization of the environmental MBLs MYO-1, ECV-1 and SHD-1.
J.Antimicrob.Chemother., 75, 2020
6FNL
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BU of 6fnl by Molmil
Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase
Descriptor: Ephrin type-B receptor 4
Authors:Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H.
Deposit date:2018-02-04
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.269 Å)
Cite:NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018

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