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5UDA
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BU of 5uda by Molmil
Crystal structure of CYP2B6 (Y226H/K262R) in complex with a monoterpene bornane
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, CAMPHANE, Cytochrome P450 2B6, ...
Authors:Shah, M.B, Halpert, J.R.
Deposit date:2016-12-24
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity.
ACS Chem. Biol., 12, 2017
5JYM
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BU of 5jym by Molmil
Human P-cadherin EC12 with scFv TSP11 bound
Descriptor: Antibody scFv TSP11, CALCIUM ION, Cadherin-3
Authors:Caaveiro, J.M.M, Kudo, S, Tsumoto, K.
Deposit date:2016-05-14
Release date:2016-12-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Disruption of cell adhesion by an antibody targeting the cell-adhesive intermediate (X-dimer) of human P-cadherin
Sci Rep, 7, 2017
5K28
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BU of 5k28 by Molmil
Structure of the unbound SH3 domain of MLK3
Descriptor: Mitogen-activated protein kinase kinase kinase 11
Authors:Kall, S.K, Lavie, A.
Deposit date:2016-05-18
Release date:2017-12-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of two distinct peptide-binding pockets in the SH3 domain of human mixed-lineage kinase 3.
J. Biol. Chem., 293, 2018
5MV3
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BU of 5mv3 by Molmil
ACC1 Fab fragment in complex with CII583-591 (CG10)
Descriptor: heavy chain of ACC1 Fab fragment, light chain of ACC1 Fab fragment, synthetic peptide containing the CII583-591 epitope of collagen type II,Collagen alpha-1(II) chain,synthetic peptide containing the CII583-591 epitope of collagen type II,
Authors:Dobritzsch, D, Holmdahl, R, Ge, C.
Deposit date:2017-01-15
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage.
JCI Insight, 2, 2017
5JZX
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BU of 5jzx by Molmil
Crystal Structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Mycobacterium tuberculosis
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, POTASSIUM ION, UDP-N-acetylenolpyruvoylglucosamine reductase
Authors:Dharavath, S, Eniyan, K, Bajpai, U, Gourinath, S.
Deposit date:2016-05-17
Release date:2017-05-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of UDP-N-acetylglucosamine-enolpyruvate reductase (MurB) from Mycobacterium tuberculosis
Biochim. Biophys. Acta, 1866, 2017
6JIV
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BU of 6jiv by Molmil
SspE crystal structure
Descriptor: SspE protein
Authors:Bing, Y.Z, Yang, H.G.
Deposit date:2019-02-23
Release date:2020-03-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
5UGF
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BU of 5ugf by Molmil
Crystal structure of human purine nucleoside phosphorylase (F159Y) mutant complexed with DADMe-ImmG and phosphate
Descriptor: 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, Purine nucleoside phosphorylase
Authors:Harijan, R.K, Cameron, S.A, Bonanno, J.B, Almo, S.C, Schramm, V.L.
Deposit date:2017-01-08
Release date:2017-06-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Catalytic-site design for inverse heavy-enzyme isotope effects in human purine nucleoside phosphorylase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5MYA
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BU of 5mya by Molmil
Homodimerization of Tie2 Fibronectin-like domains 1-3 in space group C2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiopoietin-1 receptor, ...
Authors:Leppanen, V.-M, Saharinen, P, Alitalo, K.
Deposit date:2017-01-26
Release date:2017-04-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of Tie2 activation and Tie2/Tie1 heterodimerization.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5MXR
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BU of 5mxr by Molmil
Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-330 Inhibitor
Descriptor: 5-(phenylsulfonylamino)-1,3-thiazole-4-carboxylic acid, ACETATE ION, Beta-lactamase VIM-2, ...
Authors:Docquier, J.D, De Luca, F, Benvenuti, M, Di Pisa, F, Pozzi, C, Mangani, S.
Deposit date:2017-01-24
Release date:2018-03-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:SAR Studies Leading to the Identification of a Novel Series of Metallo-beta-lactamase Inhibitors for the Treatment of Carbapenem-Resistant Enterobacteriaceae Infections That Display Efficacy in an Animal Infection Model.
Acs Infect Dis., 5, 2019
5TY9
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BU of 5ty9 by Molmil
Identification of a New Zinc Binding Chemotype by Fragment Screening
Descriptor: (5R)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION
Authors:Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K.
Deposit date:2016-11-18
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
5MSJ
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BU of 5msj by Molmil
Mouse PA28alpha
Descriptor: Proteasome activator complex subunit 1
Authors:Huber, E.M, Groll, M.
Deposit date:2017-01-05
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:The Mammalian Proteasome Activator PA28 Forms an Asymmetric alpha 4 beta 3 Complex.
Structure, 25, 2017
6JIA
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BU of 6jia by Molmil
Marine bacterial laminarinase mutant E135A complex with laminaritetraose
Descriptor: CALCIUM ION, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose, laminarinase
Authors:Yang, J, Xu, Y, Miyakawa, T, Tanokura, M, Long, L.
Deposit date:2019-02-20
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Basis for Substrate Recognition and Catalysis by a Marine Bacterial Laminarinase.
Appl.Environ.Microbiol., 86, 2020
6JIO
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BU of 6jio by Molmil
Human LXR-beta in complex with a ligand
Descriptor: Oxysterols receptor LXR-beta, tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate
Authors:Zhang, Z, Zhou, H.
Deposit date:2019-02-22
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identify liver X receptor beta modulator building blocks by developing a fluorescence polarization-based competition assay.
Eur.J.Med.Chem., 178, 2019
6JEV
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BU of 6jev by Molmil
K2U bound crystal structure of class I type a peptide deformylase from Acinetobacter baumanii
Descriptor: (3~{R},4~{R})-4-oxidanyl-3-(phenylmethyl)-4-(phenylmethylsulfanyl)butanoic acid, Peptide deformylase, ZINC ION
Authors:Lee, I.H, Ho, T.H, Kang, L.W.
Deposit date:2019-02-07
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:K2U bound crystal peptide deformylase from Acinetobacter baumanii
To be published
5N07
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BU of 5n07 by Molmil
Structure of the [4Fe-4S] form of the NO response regulator NsrR
Descriptor: CHLORIDE ION, HTH-type transcriptional repressor NsrR, IRON/SULFUR CLUSTER, ...
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2017-02-02
Release date:2017-04-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structures of the NO sensor NsrR reveal how its iron-sulfur cluster modulates DNA binding.
Nat Commun, 8, 2017
6JGA
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BU of 6jga by Molmil
Crystal structure of barley exohydrolaseI W286F in complex with 4'-nitrophenyl thiolaminaribioside
Descriptor: (2~{R},3~{S},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-oxane-2,3,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ...
Authors:Luang, S, Streltsov, V.A, Hrmova, M.
Deposit date:2019-02-13
Release date:2020-08-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
5N0C
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BU of 5n0c by Molmil
Crystal structure of the tetanus neurotoxin in complex with GM1a
Descriptor: DI(HYDROXYETHYL)ETHER, Tetanus toxin, ZINC ION, ...
Authors:Masuyer, G, Conrad, J, Stenmark, P.
Deposit date:2017-02-02
Release date:2017-06-21
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structure of the tetanus toxin reveals pH-mediated domain dynamics.
EMBO Rep., 18, 2017
1DV6
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BU of 1dv6 by Molmil
PHOTOSYNTHETIC REACTION CENTER FROM RHODOBACTER SPHAEROIDES IN THE CHARGE-NEUTRAL DQAQB STATE WITH THE PROTON TRANSFER INHIBITOR ZN2+
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CHLORIDE ION, ...
Authors:Axelrod, H.L, Abresch, E.C, Paddock, M.L, Okamura, M.Y, Feher, G.
Deposit date:2000-01-19
Release date:2000-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Determination of the binding sites of the proton transfer inhibitors Cd2+ and Zn2+ in bacterial reaction centers.
Proc.Natl.Acad.Sci.USA, 97, 2000
6JK4
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BU of 6jk4 by Molmil
Ca2+-dependent type II antifreeze protein
Descriptor: CALCIUM ION, Type II antifreeze protein
Authors:Arai, T, Tsuda, S, Kondo, H, Nishimiya, Y.
Deposit date:2019-02-27
Release date:2019-06-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Calcium-Binding Generates the Semi-Clathrate Waters on a Type II Antifreeze Protein to Adsorb onto an Ice Crystal Surface.
Biomolecules, 9, 2019
1DQD
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BU of 1dqd by Molmil
CRYSTAL STRUCTURE OF FAB HGR-2 F6, A COMPETITIVE ANTAGONIST OF THE GLUCAGON RECEPTOR
Descriptor: FAB HGR-2 F6
Authors:Wright, L.M, Brzozowski, A.M, Hubbard, R.E, Pike, A.C.W, Roberts, S.M, Skovgaard, R.N, Svendsen, I, Vissing, H, Bywater, R.P.
Deposit date:2000-01-04
Release date:2000-05-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Fab hGR-2 F6, a competitive antagonist of the glucagon receptor.
Acta Crystallogr.,Sect.D, 56, 2000
5MYY
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BU of 5myy by Molmil
Hen Egg-White Lysozyme (HEWL) cocrystallized in the presence of Cadmium sulphate
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ...
Authors:Panneerselvam, S, Burkhardt, A, Meents, A.
Deposit date:2017-01-30
Release date:2017-07-12
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Rapid cadmium SAD phasing at the standard wavelength (1 angstrom ).
Acta Crystallogr D Struct Biol, 73, 2017
2WZN
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BU of 2wzn by Molmil
3d structure of TET3 from Pyrococcus horikoshii
Descriptor: 354AA LONG HYPOTHETICAL OPERON PROTEIN FRV, CHLORIDE ION, GLYCEROL, ...
Authors:Rosenbaum, E, Dura, M.A, Vellieux, F.M, Franzetti, B.
Deposit date:2009-12-01
Release date:2010-11-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Structural and Biochemical Characterizations of a Novel Tet Peptidase Complex from Pyrococcus Horikoshii Reveal an Integrated Peptide Degradation System in Hyperthermophilic Archaea.
Mol.Microbiol., 72, 2009
5U4Z
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BU of 5u4z by Molmil
Crystal structure of citrus MAF1 in space group P 31 2 1
Descriptor: Repressor of RNA polymerase III transcription, SULFATE ION
Authors:Soprano, A.S, Giuseppe, P.O, Nascimento, A.F.Z, Benedetti, C.E, Murakami, M.T.
Deposit date:2016-12-06
Release date:2017-07-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structure of citrus MAF1 in space group P 31 2 1
To Be Published
1DUN
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BU of 1dun by Molmil
EIAV DUTPASE NATIVE
Descriptor: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE
Authors:Dauter, Z, Persson, R, Rosengren, A.M, Nyman, P.O, Wilson, K.S, Cedergren-Zeppezauer, E.S.
Deposit date:1997-11-27
Release date:1998-05-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of dUTPase from equine infectious anaemia virus; active site metal binding in a substrate analogue complex.
J.Mol.Biol., 285, 1999
6JJH
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BU of 6jjh by Molmil
Crystal structure of a two-quartet RNA parallel G-quadruplex complexed with the porphyrin TMPyP4
Descriptor: (1Z,4Z,9Z,15Z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin, POTASSIUM ION, RNA (5'-R(*GP*GP*CP*UP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A)-3')
Authors:Zhang, Y.S, EI Omari, K, Duman, R, Wagner, A, Parkinson, G.N, Wei, D.G.
Deposit date:2019-02-25
Release date:2020-02-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Native de novo structural determinations of non-canonical nucleic acid motifs by X-ray crystallography at long wavelengths.
Nucleic Acids Res., 48, 2020

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