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5E7W
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BU of 5e7w by Molmil
X-ray Structure of Human Recombinant 2Zn insulin at 0.92 Angstrom
Descriptor: ACETATE ION, Insulin, N-PROPANOL, ...
Authors:Lisgarten, D.R, Naylor, C.E, Palmer, R.A, Lobley, C.M.C.
Deposit date:2015-10-13
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (0.9519 Å)
Cite:Ultra-high resolution X-ray structures of two forms of human recombinant insulin at 100 K.
Chem Cent J, 11, 2017
6FW2
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BU of 6fw2 by Molmil
Crystal Structure of human mARC1
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MOLYBDATE ION, Mitochondrial amidoxime-reducing component 1,Endolysin,Mitochondrial amidoxime-reducing component 1, ...
Authors:Kubitza, C, Scheidig, A.
Deposit date:2018-03-05
Release date:2018-10-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of human mARC1 reveals its exceptional position among eukaryotic molybdenum enzymes.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5U5O
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BU of 5u5o by Molmil
Bacterial adhesin from Mobiluncus mulieris containing intramolecular disulfide, isopeptide, and ester bond cross-links (space group P1)
Descriptor: LPXTG-motif cell wall anchor domain protein
Authors:Paynter, J, Young, P.G, Squire, C.J.
Deposit date:2016-12-07
Release date:2018-06-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Domain structure and cross-linking in a giant adhesin from the Mobiluncus mulieris bacterium.
Acta Crystallogr D Struct Biol, 79, 2023
7CYG
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BU of 7cyg by Molmil
Crystal structure of a cysteine-pair mutant (Y113C-P190C) of a bacterial bile acid transporter before disulfide bond formation
Descriptor: Transporter, sodium/bile acid symporter family
Authors:Wang, X, Lyu, Y, Ji, Y, Sun, Z, Zhou, X.
Deposit date:2020-09-03
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.198 Å)
Cite:An engineered disulfide bridge traps and validates an outward-facing conformation in a bile acid transporter.
Acta Crystallogr D Struct Biol, 77, 2021
6Q0R
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BU of 6q0r by Molmil
Structure of DDB1-DDA1-DCAF15 complex bound to E7820 and RBM39
Descriptor: 3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ...
Authors:Faust, T, Yoon, H, Nowak, R.P, Donovan, K.A, Li, Z, Cai, Q, Eleuteri, N.A, Zhang, T, Gray, N.S, Fischer, E.S.
Deposit date:2019-08-02
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural complementarity facilitates E7820-mediated degradation of RBM39 by DCAF15.
Nat.Chem.Biol., 16, 2020
6FWD
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BU of 6fwd by Molmil
Crystal structure of human transthyretin double mutant R34G/T119M at pH 5.5
Descriptor: Transthyretin
Authors:Esperante, S, Ventura, S, Reverter, D, Varejao, N.
Deposit date:2018-03-06
Release date:2019-03-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.576 Å)
Cite:Disease-associated mutations impacting BC-loop flexibility trigger long-range transthyretin tetramer destabilization and aggregation.
J.Biol.Chem., 297, 2021
6V8W
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BU of 6v8w by Molmil
CDYL2 chromodomain in complex with a synthetic peptide
Descriptor: Chromodomain Y-like protein 2, IVA-PHE-ALA-PHE-5T3-SER-NH2, UNKNOWN ATOM OR ION
Authors:Dong, C, Tempel, W, James, L.I, Lamb, K.N, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
Deposit date:2019-12-12
Release date:2020-01-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for the Binding Selectivity of Human CDY Chromodomains.
Cell Chem Biol, 27, 2020
6XT6
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BU of 6xt6 by Molmil
pro-concanavalin A: Precursor of circularly permuted concanavalin A
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Concanavalin-A, ...
Authors:Nonis, S.G, Haywood, J, Schmidberger, J.W, Bond, C.S.
Deposit date:2020-07-17
Release date:2020-11-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Structural and biochemical analyses of concanavalin A circular permutation by jack bean asparaginyl endopeptidase.
Plant Cell, 33, 2021
6FWO
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BU of 6fwo by Molmil
Structure of an E336Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-1,2-anhydro-mannose hydrolyzed by enzyme
Descriptor: (1~{S},2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2018-03-06
Release date:2019-09-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
6V98
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BU of 6v98 by Molmil
Crystal structure of Type VI secretion system effector, TseH (VCA0285)
Descriptor: CALCIUM ION, Cysteine hydrolase
Authors:Watanabe, N, Hersch, S.J, Dong, T.G, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-12-13
Release date:2020-01-15
Last modified:2020-05-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Envelope stress responses defend against type six secretion system attacks independently of immunity proteins.
Nat Microbiol, 5, 2020
5VTE
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BU of 5vte by Molmil
Hetero antiparallel coiled coil hexamer formed by de novo peptides
Descriptor: de novo peptide 1, de novo peptide 2
Authors:Spencer, R.K, Hochbaum, A.I.
Deposit date:2017-05-16
Release date:2017-10-04
Last modified:2022-12-14
Method:X-RAY DIFFRACTION (2.023 Å)
Cite:The Phe-Ile Zipper: A Specific Interaction Motif Drives Antiparallel Coiled-Coil Hexamer Formation.
Biochemistry, 56, 2017
5DPW
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BU of 5dpw by Molmil
Crystal structure of PLEKHM1 LIR in complex with human LC3C_8-125
Descriptor: Microtubule-associated proteins 1A/1B light chain 3C, Pleckstrin homology domain-containing family M member 1
Authors:Ravichandran, A.C, Suzuki, H, Dobson, R.C.J.
Deposit date:2015-09-14
Release date:2016-09-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.185 Å)
Cite:Structural and functional analysis of the GABARAP interaction motif (GIM).
EMBO Rep., 18, 2017
5L1Q
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BU of 5l1q by Molmil
X-ray Structure of Cytochrome P450 PntM with Dihydropentalenolactone F
Descriptor: Dihydropentalenolactone F, PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase
Authors:Duan, L, Jogl, G, Cane, D.E.
Deposit date:2016-07-29
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
5HYM
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BU of 5hym by Molmil
3-Hydroxybenzoate 6-hydroxylase from Rhodococcus jostii in complex with phosphatidylinositol
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Phosphatidylinositol, ...
Authors:Orru, R, Montersino, S, Mattevi, A, van Berkel, W.J.H.
Deposit date:2016-02-01
Release date:2017-02-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:3-Hydroxybenzoate 6-Hydroxylase from Rhodococcus jostii RHA1 Contains a Phosphatidylinositol Cofactor.
Front Microbiol, 8, 2017
6XS3
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BU of 6xs3 by Molmil
X-ray structure of the monoclinic crystal form at 2.48 A resolution of lipase from Thermomyces (Humicola) lanuginosa at 298 K
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate, CALCIUM ION, ...
Authors:McPherson, A.
Deposit date:2020-07-14
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:The crystal Structures of Thermomyces (Humicola) lanuginosa lipase in complex with enzymatic reactants
Current Enzyme Inhibition, 16, 2020
5LBP
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BU of 5lbp by Molmil
Oceanobacillus iheyensis macrodomain mutant N30A
Descriptor: MacroD-type macrodomain, PHOSPHATE ION
Authors:Gil-Ortiz, F, Zapata-Perez, R, Martinez, A.B, Juanhuix, J, Sanchez-Ferrer, A.
Deposit date:2016-06-16
Release date:2017-05-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural and functional analysis of Oceanobacillus iheyensis macrodomain reveals a network of waters involved in substrate binding and catalysis.
Open Biol, 7, 2017
6Q3Z
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BU of 6q3z by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16k
Descriptor: (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Heidenreich, D, Watts, E, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S, Hoelder, S, Structural Genomics Consortium (SGC)
Deposit date:2018-12-04
Release date:2019-03-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity.
J.Med.Chem., 62, 2019
6MYD
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BU of 6myd by Molmil
Structure of zebrafish TRAF6 in complex with STING CTT
Descriptor: STING CTT, Transmembrane protein 173, SULFATE ION, ...
Authors:de Oliveira Mann, C.C, Orzalli, M.H, King, D.S, Kagan, J.C, Lee, A.S.Y, Kranzusch, P.J.
Deposit date:2018-11-01
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Modular Architecture of the STING C-Terminal Tail Allows Interferon and NF-kappa B Signaling Adaptation.
Cell Rep, 27, 2019
6VFQ
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BU of 6vfq by Molmil
Crystal structure of monomeric human protocadherin 10 EC1-EC4
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Harrison, O.J, Brasch, J, Shapiro, L.
Deposit date:2020-01-06
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Family-wide Structural and Biophysical Analysis of Binding Interactions among Non-clustered delta-Protocadherins.
Cell Rep, 30, 2020
5HQI
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BU of 5hqi by Molmil
Insulin with proline analog HzP at position B28 in the T2 state
Descriptor: Insulin A-Chain, Insulin B-Chain
Authors:Lieblich, S.A, Fang, K.Y, Cahn, J.K.B, Tirrell, D.A.
Deposit date:2016-01-21
Release date:2017-01-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:4S-Hydroxylation of Insulin at ProB28 Accelerates Hexamer Dissociation and Delays Fibrillation.
J. Am. Chem. Soc., 139, 2017
5E8W
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BU of 5e8w by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH STAUROSPORINE
Descriptor: GLYCEROL, STAUROSPORINE, TGF-beta receptor type-1
Authors:Sheriff, S.
Deposit date:2015-10-14
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
8ONM
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BU of 8onm by Molmil
Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiense point mutant E113A complexed with D-glutamate
Descriptor: (~{Z})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pent-2-enedioic acid, 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ...
Authors:Matyuta, I.O, Boyko, K.M, Minyaev, M.E, Shilova, S.A, Bezsudnova, E.Y, Popov, V.O.
Deposit date:2023-04-03
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Probing of the structural and catalytic roles of the residues in the active site of transaminase from Aminobacterium colombiense
To Be Published
6MZ1
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BU of 6mz1 by Molmil
CTX-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 5.3
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, PHOSPHATE ION, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2018-11-03
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1 Å)
Cite:Mechanism of proton transfer in class A beta-lactamase catalysis and inhibition by avibactam.
Proc.Natl.Acad.Sci.USA, 117, 2020
6XT5
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BU of 6xt5 by Molmil
Jack bean asparaginyl endopeptidase
Descriptor: Legumain
Authors:Nonis, S.G, Haywood, J, Schmidberger, J.W, Bond, C.S.
Deposit date:2020-07-17
Release date:2020-11-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural and biochemical analyses of concanavalin A circular permutation by jack bean asparaginyl endopeptidase.
Plant Cell, 33, 2021
6Q43
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BU of 6q43 by Molmil
Atomic resolution crystal structure of an ABA collagen heterotrimer
Descriptor: GLYCEROL, Leading Chain of the ABA collagen heterotrimer, Middle Chain of the ABA collagen heterotrimer, ...
Authors:Jalan, A.A, Hartgerink, J.D, Brear, P, Leitinger, B, Farndale, R.W.
Deposit date:2018-12-05
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Atomic resolution crystal structure of an AAB collagen heterotrimer
Nat.Chem.Biol., 2019

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