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4O8M
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BU of 4o8m by Molmil
Crystal structure of a trap periplasmic solute binding protein actinobacillus succinogenes 130z, target EFI-510004, with bound L-galactonate
Descriptor: CHLORIDE ION, L-galactonic acid, SULFATE ION, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-12-28
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
5W19
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BU of 5w19 by Molmil
Tryptophan indole-lyase complex with oxindolyl-L-alanine
Descriptor: 1-carboxy-1-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]azaniumyl}-2-[(3R)-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-ide, POTASSIUM ION, Tryptophanase
Authors:Phillips, R.S, Wood, Z.A.
Deposit date:2017-06-02
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structure of Proteus vulgaris tryptophan indole-lyase complexed with oxindolyl-L-alanine: implications for the reaction mechanism.
Acta Crystallogr D Struct Biol, 74, 2018
5VOT
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BU of 5vot by Molmil
Structure of AMPA receptor-TARP complex
Descriptor: Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit
Authors:Chen, S, Zhao, Y, Wang, Y.S, Shekhar, M, Tajkhorshid, E, Gouaux, E.
Deposit date:2017-05-03
Release date:2017-07-12
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Activation and Desensitization Mechanism of AMPA Receptor-TARP Complex by Cryo-EM.
Cell, 170, 2017
1LUL
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BU of 1lul by Molmil
DB58, A LEGUME LECTIN FROM DOLICHOS BIFLORUS
Descriptor: CALCIUM ION, LECTIN DB58, MANGANESE (II) ION
Authors:Hamelryck, T.W, Bouckaert, J, Dao-Thi, M.H, Wyns, L, Etzler, M, Loris, R.
Deposit date:1998-06-30
Release date:1998-12-30
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Carbohydrate binding, quaternary structure and a novel hydrophobic binding site in two legume lectin oligomers from Dolichos biflorus.
J.Mol.Biol., 286, 1999
1MOA
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BU of 1moa by Molmil
A NOVEL SITE-DIRECTED MUTANT OF MYOGLOBIN WITH AN UNUSUALLY HIGH O2 AFFINITY AND LOW AUTOOXIDATION RATE
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Quillin, M.L, Phillips Jr, G.N.
Deposit date:1994-12-01
Release date:1995-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A novel site-directed mutant of myoglobin with an unusually high O2 affinity and low autooxidation rate.
J.Biol.Chem., 267, 1992
6Z0M
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BU of 6z0m by Molmil
Het-Ncap - De novo designed three-helix heterodimer with Cysteine at the Ncap position of the alpha-helix
Descriptor: Cys-Ncap strand, Positive Strand, SULFATE ION, ...
Authors:McEwen, A.G, Poussin-Courmontagne, P, Naudin, E.A, DeGrado, W.F, Torbeev, V.
Deposit date:2020-05-09
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Acyl Transfer Catalytic Activity in De Novo Designed Protein with N-Terminus of alpha-Helix As Oxyanion-Binding Site.
J.Am.Chem.Soc., 143, 2021
6DF9
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BU of 6df9 by Molmil
Kaiso (ZBTB33) E535Q zinc finger DNA binding domain in complex with the specific Kaiso binding sequence (KBS)
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*GP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*TP*GP*CP*CP*AP*AP*TP*AP*AP*CP*G)-3'), ...
Authors:Nikolova, E.N, Stanfield, R.L, Dyson, H.J, Wright, P.E.
Deposit date:2018-05-14
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.319 Å)
Cite:A conformational switch in the zinc finger protein Kaiso mediates differential readout of specific and methylated DNA sequences.
Biochemistry, 2020
1N13
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BU of 1n13 by Molmil
The Crystal Structure of Pyruvoyl-dependent Arginine Decarboxylase from Methanococcus jannashii
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, AGMATINE, Pyruvoyl-dependent arginine decarboxylase alpha chain, ...
Authors:Tolbert, W.D, Graham, D.E, White, R.H, Ealick, S.E.
Deposit date:2002-10-16
Release date:2003-03-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Pyruvoyl-Dependent Arginine Decarboxylase from Methanococcus jannaschii: Crystal Structures of the Self-Cleaved and S53A Proenzyme Forms
Structure, 11, 2003
3HJY
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BU of 3hjy by Molmil
Structure of a functional ribonucleoprotein pseudouridine synthase bound to a substrate RNA
Descriptor: 5'-R(*GP*GP*AP*GP*CP*GP*UP*GP*CP*GP*GP*UP*UP*U)-3', 5'-R(*GP*GP*GP*CP*UP*CP*CP*GP*GP*AP*AP*AP*CP*CP*GP*CP*GP*GP*CP*GP*C)-3', RNA (25-MER), ...
Authors:Liang, B, Zhou, J, Kahen, E, Terns, R.M, Terns, M.P, Li, H.
Deposit date:2009-05-22
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Structure of a functional ribonucleoprotein pseudouridine synthase bound to a substrate RNA
Nat.Struct.Mol.Biol., 16, 2009
1MZA
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BU of 1mza by Molmil
crystal structure of human pro-granzyme K
Descriptor: pro-granzyme K
Authors:Hink-Schauer, C, Estebanez-Perpina, E, Wilharm, E, Fuentes-Prior, P, Klinkert, W, Bode, W, Jenne, D.E.
Deposit date:2002-10-07
Release date:2003-01-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:The 2.2-A Crystal Structure of Human Pro-granzyme K Reveals a Rigid Zymogen with Unusual Features
J.BIOL.CHEM., 277, 2002
7M7W
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BU of 7m7w by Molmil
Antibodies to the SARS-CoV-2 receptor-binding domain that maximize breadth and resistance to viral escape
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Monoclonal antibody S2H97 Fab heavy chain, Monoclonal antibody S2H97 Fab light chain, ...
Authors:Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M.
Deposit date:2021-03-29
Release date:2021-05-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
2Y69
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BU of 2y69 by Molmil
Bovine heart cytochrome c oxidase re-refined with molecular oxygen
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, CHOLIC ACID, ...
Authors:Kaila, V.R.I, Oksanen, E, Goldman, A, Verkhovsky, M.I, Sundholm, D, Wikstrom, M.
Deposit date:2011-01-20
Release date:2011-02-23
Last modified:2019-11-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Combined Quantum Chemical and Crystallographic Study on the Oxidized Binuclear Center of Cytochrome C Oxidase.
Biochim.Biophys.Acta, 1807, 2011
9F3D
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BU of 9f3d by Molmil
Single acyclic phosphonate nucleotide (S)-ZNA modification on DNA hairpin
Descriptor: C modifed (S)-ZNA
Authors:Li, X, Groaz, E, Herdewijn, P, Lescrinier, E.
Deposit date:2024-04-25
Release date:2024-06-05
Last modified:2024-07-10
Method:SOLUTION NMR
Cite:Impact of Single Acyclic Phosphonate Nucleotide (ZNA) Modifications on DNA Duplex Stability.
Chemistry, 30, 2024
3H2L
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BU of 3h2l by Molmil
Crystal structure of HCV NS5B polymerase in complex with a novel bicyclic dihydro-pyridinone inhibitor
Descriptor: N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, NS5B polymerase
Authors:Han, Q, Showalter, R.E, Zhou, Q, Kissinger, C.R.
Deposit date:2009-04-14
Release date:2009-12-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of tricyclic 5,6-dihydro-1H-pyridin-2-ones as novel, potent, and orally bioavailable inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
7QI3
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BU of 7qi3 by Molmil
Structure of Fusarium verticillioides NAT1 (FDB2) N-malonyltransferase
Descriptor: 1,2-ETHANEDIOL, Arylamine N-acetyltransferase, DI(HYDROXYETHYL)ETHER, ...
Authors:Lowe, E.D, Kotomina, E, Karagianni, E, Boukouvala, S.
Deposit date:2021-12-14
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fusarium verticillioides NAT1 (FDB2) N-malonyltransferase is structurally, functionally and phylogenetically distinct from its N-acetyltransferase (NAT) homologues.
Febs J., 290, 2023
5VYC
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BU of 5vyc by Molmil
Crystal structure of the human 40S ribosomal subunit in complex with DENR-MCT-1.
Descriptor: 40S ribosomal protein S10, 40S ribosomal protein S11, 40S ribosomal protein S12, ...
Authors:Lomakin, I.B, Stolboushkina, E.A, Vaidya, A.T, Garber, M.B, Dmitriev, S.E, Steitz, T.A.
Deposit date:2017-05-24
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (6 Å)
Cite:Crystal Structure of the Human Ribosome in Complex with DENR-MCT-1.
Cell Rep, 20, 2017
9PCY
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BU of 9pcy by Molmil
HIGH-RESOLUTION SOLUTION STRUCTURE OF REDUCED FRENCH BEAN PLASTOCYANIN AND COMPARISON WITH THE CRYSTAL STRUCTURE OF POPLAR PLASTOCYANIN
Descriptor: COPPER (II) ION, PLASTOCYANIN
Authors:Moore, J.M, Lepre, C.A, Gippert, G.P, Chazin, W.J, Case, D.A, Wright, P.E.
Deposit date:1991-03-18
Release date:1993-10-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:High-resolution solution structure of reduced French bean plastocyanin and comparison with the crystal structure of poplar plastocyanin.
J.Mol.Biol., 221, 1991
9EUU
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BU of 9euu by Molmil
Structure of recombinant alpha-synuclein fibrils 1B capable of seeding GCIs in vivo
Descriptor: Alpha-synuclein
Authors:Burger, D, Kashyrina, M, Lewis, A, De Nuccio, F, Mohammed, I, de La Seigliere, H, van den Heuvel, L, Feuillie, C, Verchere, J, Berbon, M, Arotcarena, M, Retailleau, A, Bezard, E, Laferriere, F, Loquet, A, Bousset, L, Baron, T, Lofrumento, D.D, De Giorgi, F, Stahlberg, H, Ichas, F.
Deposit date:2024-03-28
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (1.93 Å)
Cite:Multiple System Atrophy: Insights from aSyn Fibril Structure
To Be Published
9FDD
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BU of 9fdd by Molmil
The crystal structure of full length tetramer CysB from Klebsiella aerogenes in complex with N-acetylserine
Descriptor: HTH-type transcriptional regulator CysB, N-ACETYL-SERINE
Authors:Verschueren, K.H.G, Dodson, E.J, Wilkinson, A.J.
Deposit date:2024-05-16
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Crystal Structure of CysB from Klebsiella aerogenes Bound to the Inducer, N-acetylserine
To Be Published
9FQ2
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BU of 9fq2 by Molmil
Poliovirus 3C protease in H32 spacegroup
Descriptor: Protease 3C
Authors:Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L.
Deposit date:2024-06-14
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Poliovirus 3C protease in H32 spacegroup
To Be Published
5VRN
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BU of 5vrn by Molmil
CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333.
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-[[5-[4-cyano-2-[(~{E})-hydroxyiminomethyl]phenoxy]-1-oxidanyl-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Abendroth, J, Edwards, T.E, Lorimer, D.
Deposit date:2017-05-11
Release date:2018-05-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of a cofactor-independent inhibitor ofMycobacterium tuberculosisInhA.
Life Sci Alliance, 1, 2018
1MOE
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BU of 1moe by Molmil
The three-dimensional structure of an engineered scFv T84.66 dimer or diabody in VL to VH linkage.
Descriptor: SULFATE ION, anti-CEA mAb T84.66
Authors:Carmichael, J.A, Power, B.E, Garrett, T.P.J, Yazaki, P.J, Shively, J.E, Raubischek, A.A, Wu, A.M, Hudson, P.J.
Deposit date:2002-09-09
Release date:2003-03-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Crystal Structure of an Anti-CEA scFv Diabody Assembled from T84.66 scFvs in VL-to-VH Orientation: Implications for Diabody Flexibility
J.Mol.Biol., 326, 2003
4V2D
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BU of 4v2d by Molmil
FLRT2 LRR domain
Descriptor: FIBRONECTIN LEUCINE RICH TRANSMEMBRANE PROTEIN 2
Authors:Seiradake, E, del Toro, D, Nagel, D, Cop, F, Haertl, R, Ruff, T, Seyit-Bremer, G, Harlos, K, Border, E.C, Acker-Palmer, A, Jones, E.Y, Klein, R.
Deposit date:2014-10-08
Release date:2014-11-05
Last modified:2015-07-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Flrt Structure: Balancing Repulsion and Cell Adhesion in Cortical and Vascular Development
Neuron, 84, 2014
1M8D
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BU of 1m8d by Molmil
inducible nitric oxide synthase with Chlorzoxazone bound
Descriptor: 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORZOXAZONE, ...
Authors:Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D.
Deposit date:2002-07-24
Release date:2002-08-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency
Biochemistry, 41, 2002
1M9T
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BU of 1m9t by Molmil
Inducible Nitric Oxide Synthase with 3-Bromo-7-Nitroindazole bound
Descriptor: 1,2-ETHANEDIOL, 3-BROMO-7-NITROINDAZOLE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D.
Deposit date:2002-09-05
Release date:2002-09-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency
Biochemistry, 41, 2002

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