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1NMC
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BU of 1nmc by Molmil
COMPLEX BETWEEN NC10 ANTI-INFLUENZA VIRUS NEURAMINIDASE SINGLE CHAIN ANTIBODY WITH A 15 RESIDUE LINKER AND INFLUENZA VIRUS NEURAMINIDASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE, ...
Authors:Malby, R.L, Mccoy, A.J, Kortt, A.A, Hudson, P.J, Colman, P.M.
Deposit date:1997-12-21
Release date:1998-09-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Three-dimensional structures of single-chain Fv-neuraminidase complexes.
J.Mol.Biol., 279, 1998
5V1R
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BU of 5v1r by Molmil
DNA polymerase beta reactant complex with 8-oxoG:C at the primer terminus and incoming dCTP
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*GP*CP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
Authors:Freudenthal, B.D, Smith, M.R, Whitaker, A.M, Schaich, M.A.
Deposit date:2017-03-02
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.077 Å)
Cite:Capturing a mammalian DNA polymerase extending from an oxidized nucleotide.
Nucleic Acids Res., 45, 2017
5ULG
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BU of 5ulg by Molmil
Crystal structure of RPE65 in complex with MB-008 and palmitate
Descriptor: (3S)-3-({3-[(1R)-3-amino-1-hydroxypropyl]phenoxy}methyl)hexan-1-ol, FE (II) ION, PALMITIC ACID, ...
Authors:Kiser, P.D, Palczewski, K.
Deposit date:2017-01-24
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Rational Tuning of Visual Cycle Modulator Pharmacodynamics.
J. Pharmacol. Exp. Ther., 362, 2017
5T7M
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BU of 5t7m by Molmil
LIGAND BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA PAO1 AMINO ACID CHEMORECEPTOR PCTA IN COMPLEX WITH L-TRP
Descriptor: ACETATE ION, Chemotaxis protein, SODIUM ION, ...
Authors:Gavira, J.A, Rico-Jimenez, M, Ortega, A, Conejero-Muriel, M, Zhulin, I, Krell, T.
Deposit date:2016-09-05
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:How Bacterial Chemoreceptors Evolve Novel Ligand Specificities
Mbio, 2020
3Q3G
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BU of 3q3g by Molmil
Crystal Structure of A-domain in complex with antibody
Descriptor: 1,2-ETHANEDIOL, Antibody Heavy chain, Antibody Light Chain, ...
Authors:Mahalingam, B, Xiong, J.P, Arnaout, M.A.
Deposit date:2010-12-21
Release date:2011-11-30
Last modified:2011-12-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Stable Coordination of the Inhibitory Ca2+ Ion at the Metal Ion-Dependent Adhesion Site in Integrin CD11b/CD18 by an Antibody-Derived Ligand Aspartate: Implications for Integrin Regulation and Structure-Based Drug Design.
J.Immunol., 187, 2011
3X2Q
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BU of 3x2q by Molmil
X-ray structure of cyanide-bound bovine heart cytochrome c oxidase in the fully oxidized state at 2.0 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, Mochizuki, M, Shinzawa-Itoh, K, Yamashita, E, Yoshikawa, S, Tsukihara, T.
Deposit date:2014-12-26
Release date:2015-06-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structure of cyanide-bound bovine heart cytochrome c oxidase in the fully oxidized state at 2.0 angstrom resolution.
Acta Crystallogr F Struct Biol Commun, 71, 2015
5TEK
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BU of 5tek by Molmil
Apo Structure of 4-Hydroxy-tetrahydrodipicolinate Reductase from Mycobacterium tuberculosis
Descriptor: 4-hydroxy-tetrahydrodipicolinate reductase, CHLORIDE ION, SODIUM ION, ...
Authors:Mank, N, Pote, S, Arnette, K, Klapper, V, Chruszcz, M.
Deposit date:2016-09-21
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Comparative structural and mechanistic studies of 4-hydroxy-tetrahydrodipicolinate reductases from Mycobacterium tuberculosis and Vibrio vulnificus.
Biochim Biophys Acta Gen Subj, 1865, 2021
5T6S
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BU of 5t6s by Molmil
Crystal structure of the A/Shanghai/2/2013 (H7N9) influenza virus hemagglutinin in complex with the antiviral drug arbidol
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ...
Authors:Kadam, R.U, Wilson, I.A.
Deposit date:2016-09-01
Release date:2017-01-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural basis of influenza virus fusion inhibition by the antiviral drug Arbidol.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5TDE
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BU of 5tde by Molmil
TEV Cleaved Human ATP Citrate Lyase Bound to Citrate
Descriptor: ATP-citrate synthase, CITRATE ANION, DIHYDROGENPHOSPHATE ION, ...
Authors:Hu, J, Fraser, M.E.
Deposit date:2016-09-19
Release date:2017-08-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Binding of hydroxycitrate to human ATP-citrate lyase.
Acta Crystallogr D Struct Biol, 73, 2017
3C5G
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BU of 3c5g by Molmil
Structure of a ternary complex of the R517K Pol lambda mutant
Descriptor: 1,2-ETHANEDIOL, 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*DCP*DAP*DGP*DTP*DAP*(2DT))-3'), ...
Authors:Garcia-Diaz, M, Bebenek, K, Foley, M.C, Pedersen, L.C, Schlick, T, Kunkel, T.A.
Deposit date:2008-01-31
Release date:2008-07-29
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Substrate-induced DNA strand misalignment during catalytic cycling by DNA polymerase lambda.
Embo Rep., 9, 2008
5URB
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BU of 5urb by Molmil
Crystal Structure of Methionyl-tRNA synthetase (MetRS) from Acinetobacter baumannii with bound L-Methionine
Descriptor: 1,2-ETHANEDIOL, METHIONINE, Methionine--tRNA ligase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-02-10
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Methionyl-tRNA synthetase (MetRS) from Acinetobacter baumannii with bound L-Methionine
to be published
4RW1
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BU of 4rw1 by Molmil
Hen egg-white lysozyme structure from a spent-beam experiment at LCLS: original beam
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Boutet, S, Foucar, L, Botha, S, Doak, R.B, Koglin, J.E, Messerschmidt, M, Nass, K, Schlichting, I, Shoeman, R, Williams, G.J.
Deposit date:2014-12-01
Release date:2015-05-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization and use of the spent beam for serial operation of LCLS.
J.SYNCHROTRON RADIAT., 22, 2015
4RW0
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BU of 4rw0 by Molmil
Crystal structure of a member of the lipolytic protein G-D-S-L family from Veillonella parvula DSM 2008
Descriptor: GLYCEROL, Lipolytic protein G-D-S-L family, SODIUM ION
Authors:Nocek, B, Hatzos-Skintges, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-11-30
Release date:2015-01-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a member of the lipolytic protein G-D-S-L family from Veillonella parvula DSM 2008
To be Published
4B3V
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BU of 4b3v by Molmil
Crystal structure of the Rubella virus glycoprotein E1 in its post-fusion form crystallized in presence of 20mM of Calcium Acetate
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Vaney, M.C, DuBois, R.M, Tortorici, M.A, Rey, F.A.
Deposit date:2012-07-26
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Functional and Evolutionary Insight from the Crystal Structure of Rubella Virus Protein E1.
Nature, 493, 2013
4TWP
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BU of 4twp by Molmil
The crystal structure of human abl1 T315I gatekeeper mutant kinase domain in complex with axitinib
Descriptor: AXITINIB, NICKEL (II) ION, SODIUM ION, ...
Authors:Johnson, E, McTigue, M, Cronin, C.N.
Deposit date:2014-07-01
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Axitinib effectively inhibits BCR-ABL1(T315I) with a distinct binding conformation.
Nature, 519, 2015
5V53
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BU of 5v53 by Molmil
Crystal structure of the D141A/Q233E/N240D variant of catalase-peroxidase from B. pseudomallei with acetate bound
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Loewen, P.C.
Deposit date:2017-03-13
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Catalase Activity of Catalase-Peroxidases Is Modulated by Changes in the pKa of the Distal Histidine.
Biochemistry, 56, 2017
5VFB
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BU of 5vfb by Molmil
1.36 Angstrom Resolution Crystal Structure of Malate Synthase G from Pseudomonas aeruginosa in Complex with Glycolic Acid.
Descriptor: CHLORIDE ION, GLYCOLIC ACID, Malate synthase G, ...
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-04-07
Release date:2017-04-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:1.36 Angstrom Resolution Crystal Structure of Malate Synthase G from Pseudomonas aeruginosa in Complex with Glycolic Acid.
To Be Published
5VGY
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BU of 5vgy by Molmil
Identification of a New Zinc Binding Chemotype by Fragment Screening
Descriptor: (5S)-5-[(2,4-dimethoxyphenyl)methyl]-5-hydroxy-2-sulfanylideneimidazolidin-4-one, Carbonic anhydrase 2, SODIUM ION, ...
Authors:Peat, T.S.
Deposit date:2017-04-11
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
3U4M
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BU of 3u4m by Molmil
Crystal structure of ribosomal protein tthl1 in complex with 80nt 23s rna from thermus thermophilus
Descriptor: 50S ribosomal protein L1, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Gabdulkhakov, A.G, Nevskaya, N.A, NIkonov, S.V.
Deposit date:2011-10-10
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution crystal structure of the isolated ribosomal L1 stalk.
Acta Crystallogr.,Sect.D, 68, 2012
3QFH
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BU of 3qfh by Molmil
2.05 Angstrom Resolution Crystal Structure of Epidermin Leader Peptide Processing Serine Protease (EpiP) from Staphylococcus aureus.
Descriptor: 1,2-ETHANEDIOL, Epidermin leader peptide processing serine protease EpiP, GLYCEROL, ...
Authors:Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-01-21
Release date:2011-02-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:2.05 Angstrom Resolution Crystal Structure of Epidermin Leader Peptide Processing Serine Protease (EpiP) from Staphylococcus aureus.
TO BE PUBLISHED
5ZPE
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BU of 5zpe by Molmil
Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by ethylamine at pH 6 at 288 K (2)
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, Phenylethylamine oxidase, ...
Authors:Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T.
Deposit date:2018-04-16
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.689 Å)
Cite:In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5E7H
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BU of 5e7h by Molmil
Crystal structure of domains CD (residues 230-489) of Bacova_02650
Descriptor: ACETATE ION, FORMIC ACID, IPT/TIG domain-containing protein BACOVA_02650, ...
Authors:Koropatkin, N.M.
Deposit date:2015-10-12
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Molecular Dissection of Xyloglucan Recognition in a Prominent Human Gut Symbiont.
Mbio, 7, 2016
6QZW
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BU of 6qzw by Molmil
DPP8 bound to a dipeptide (MP) from the N-terminus of BRCA2
Descriptor: Dipeptidyl peptidase 8, MET-PRO, SODIUM ION
Authors:Ross, B, Geiss-Friedlander, R, Huber, R.
Deposit date:2019-03-12
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Dipeptidyl peptidase 9 triggers BRCA2 degradation by the N-degron pathway to promote DNA-damage repair
Biorxiv, 2020
5ZPH
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BU of 5zph by Molmil
Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by ethylamine at pH6 at 293K (2)
Descriptor: COPPER (II) ION, Phenylethylamine oxidase, SODIUM ION
Authors:Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T.
Deposit date:2018-04-16
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5ZP8
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BU of 5zp8 by Molmil
Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by ethylamine at pH 6 at 277 K (4)
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, Phenylethylamine oxidase, ...
Authors:Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T.
Deposit date:2018-04-16
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019

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