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1IO0
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BU of 1io0 by Molmil
CRYSTAL STRUCTURE OF TROPOMODULIN C-TERMINAL HALF
Descriptor: TROPOMODULIN, ZINC ION
Authors:Krieger, I, Kostyukova, A, Yamashita, A, Maeda, Y.
Deposit date:2000-12-14
Release date:2002-11-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of the C-terminal half of tropomodulin and structural basis of actin filament pointed-end capping.
Biophys.J., 83, 2002
3IP9
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BU of 3ip9 by Molmil
Structure of Atu2422-GABA receptor in complex with GABA
Descriptor: ABC transporter, substrate binding protein (Amino acid), GAMMA-AMINO-BUTANOIC ACID, ...
Authors:Morera, S, Planamente, S, Vigouroux, A.
Deposit date:2009-08-17
Release date:2010-07-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A conserved mechanism of GABA binding and antagonism is revealed by structure-function analysis of the periplasmic binding protein Atu2422 in Agrobacterium tumefaciens.
J.Biol.Chem., 285, 2010
6MGT
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BU of 6mgt by Molmil
Crystal structure of alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase Mutant H110A
Descriptor: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, COBALT (II) ION
Authors:Yang, Y, Daivs, I, Matsui, T, Rubalcava, I, Liu, A.
Deposit date:2018-09-14
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Quaternary structure of alpha-amino-beta-carboxymuconate-ε-semialdehyde decarboxylase (ACMSD) controls its activity.
J.Biol.Chem., 294, 2019
6MGZ
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BU of 6mgz by Molmil
Crystal Structure of the New Deli Metallo Beta Lactamase Variant 4 from Klebsiella pneumoniae
Descriptor: FORMIC ACID, MAGNESIUM ION, NDM-4, ...
Authors:Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-09-16
Release date:2018-10-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.647 Å)
Cite:Crystal Structure of the New Deli Metallo Beta Lactamase Variant 4 from Klebsiella pneumoniae
To Be Published
6MHR
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BU of 6mhr by Molmil
Structure of the human 4-1BB / Urelumab Fab complex
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, MALONATE ION, ...
Authors:Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y.
Deposit date:2018-09-18
Release date:2018-11-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.
Nat Commun, 9, 2018
6MI2
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BU of 6mi2 by Molmil
Structure of the human 4-1BB / Utomilumab Fab complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ...
Authors:Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y.
Deposit date:2018-09-19
Release date:2018-11-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.
Nat Commun, 9, 2018
1F7T
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BU of 1f7t by Molmil
HOLO-(ACYL CARRIER PROTEIN) SYNTHASE AT 1.8A
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, GLYCEROL, ...
Authors:Parris, K.D, Lin, L, Tam, A, Mathew, R, Hixon, J, Stahl, M, Fritz, C.C, Seehra, J, Somers, W.S.
Deposit date:2000-06-27
Release date:2001-06-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of substrate binding to Bacillus subtilis holo-(acyl carrier protein) synthase reveal a novel trimeric arrangement of molecules resulting in three active sites.
Structure Fold.Des., 8, 2000
5M86
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BU of 5m86 by Molmil
Crystal Structure of the Thermoplasma acidophilum Protein Ta1207
Descriptor: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Pathare, G.R, Nagy, I, Bracher, A.
Deposit date:2016-10-28
Release date:2017-06-14
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the Thermoplasma acidophilum protein Ta1207.
Acta Crystallogr F Struct Biol Commun, 73, 2017
6MJT
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BU of 6mjt by Molmil
Azurin 122F/124W/126Re
Descriptor: (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (II) ION
Authors:Takematsu, K, Zalis, S, Gray, H.B, Vlcek, A, Winkler, J.R, Williamson, H, Kaiser, J.T, Heyda, J, Hollas, D.
Deposit date:2018-09-21
Release date:2019-02-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.893 Å)
Cite:Two Tryptophans Are Better Than One in Accelerating Electron Flow through a Protein.
ACS Cent Sci, 5, 2019
5MB7
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BU of 5mb7 by Molmil
Cocktail experiment B: fragments 224 and 236 at 50mM concentration
Descriptor: 1-(2-chloro-5-nitrophenyl)-N-methylmethanamine, Endothiapepsin, GLYCEROL
Authors:Radeva, N, Koester, H, Heine, A, Klebe, G.
Deposit date:2016-11-07
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.299 Å)
Cite:Comparison of cocktail versus single soaking experiments
To Be Published
6MJ6
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BU of 6mj6 by Molmil
Crystal structure of the mCD1d/xxx (JJ166) /iNKTCR ternary complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
Authors:Zajonc, D.M, Bitra, A, Janssens, J.
Deposit date:2018-09-20
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies.
ChemMedChem, 14, 2019
7VM2
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BU of 7vm2 by Molmil
GluK3 D759G mutant receptor complex with UBP310 and spermine
Descriptor: Glutamate receptor ionotropic, kainate 3
Authors:Assaiya, A, Kumar, J.
Deposit date:2021-10-06
Release date:2022-10-19
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:GluK3 D759G mutant receptor in complex with UBP310 and Spermine
To Be Published
6MJR
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BU of 6mjr by Molmil
Azurin 122W/124F/126Re
Descriptor: (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (II) ION
Authors:Takematsu, K, Zalis, S, Gray, H.B, Vlcek, A, Winkler, J.R, Williamson, H, Kaiser, J.T, Heyda, J, Hollas, D.
Deposit date:2018-09-21
Release date:2019-02-20
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.012 Å)
Cite:Two Tryptophans Are Better Than One in Accelerating Electron Flow through a Protein.
ACS Cent Sci, 5, 2019
4IAX
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BU of 4iax by Molmil
Engineered human lipocalin 2 (CL31) in complex with Y-DTPA
Descriptor: N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-N-{(2R)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine, Neutrophil gelatinase-associated lipocalin, YTTRIUM (III) ION
Authors:Eichinger, A, Skerra, A.
Deposit date:2012-12-07
Release date:2013-06-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided engineering of Anticalins with improved binding behavior and biochemical characteristics for application in radio-immuno imaging and/or therapy
J.Struct.Biol., 185, 2014
3E7G
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BU of 3e7g by Molmil
Structure of human INOSOX with inhibitor AR-C95791
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, Nitric oxide synthase, ...
Authors:Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
Deposit date:2008-08-18
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
1WPM
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BU of 1wpm by Molmil
Structure of Bacillus subtilis inorganic pyrophosphatase
Descriptor: Manganese-dependent inorganic pyrophosphatase, SULFATE ION, TETRAETHYLENE GLYCOL
Authors:Fabrichniy, I.P, Lehtio, L, Salminen, A, Baykov, A.A, Lahti, R, Goldman, A.
Deposit date:2004-09-09
Release date:2004-11-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Studies of Metal Ions in Family II Pyrophosphatases: The Requirement for a Janus Ion
Biochemistry, 43, 2004
5MDJ
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BU of 5mdj by Molmil
Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in a its as-isolated high-pressurized form
Descriptor: CHLORIDE ION, FE3-S4 CLUSTER, FE4-S3 CLUSTER, ...
Authors:Schmidt, A, Kalms, J, Scheerer, P.
Deposit date:2016-11-11
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Tracking the route of molecular oxygen in O2-tolerant membrane-bound [NiFe] hydrogenase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6EX3
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BU of 6ex3 by Molmil
Staphylococcus aureus superoxide dismutase SodA
Descriptor: FE (III) ION, Superoxide dismutase
Authors:Barwinska-Sendra, A, Basle, A, Waldron, K.
Deposit date:2017-11-07
Release date:2018-11-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An evolutionary path to altered cofactor specificity in a metalloenzyme
Nat Commun, 2020
6MGX
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BU of 6mgx by Molmil
Crystal Structure of the New Deli Metallo Beta Lactamase Variant 6 Klebsiella pneumoniae
Descriptor: Metallo-beta-lactamase, SULFATE ION, ZINC ION
Authors:Kim, Y, Tesar, C, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-09-16
Release date:2018-10-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of the New Deli Metallo Beta Lactamase Variant 6 Klebsiella pneumoniae
To Be Published
2ZQ3
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BU of 2zq3 by Molmil
The crystal structure of the orthorhombic form of hen egg white lysozyme at 1.6 angstroms resolution
Descriptor: Lysozyme C, SODIUM ION
Authors:Aibara, S, Suzuki, A, Kidera, A, Shibata, K, Hirose, M.
Deposit date:2008-08-03
Release date:2008-09-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The crystal structure of the orthorhombic form of hen egg white lysozyme at 1.5 angstroms resolution
To be Published
6MIA
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BU of 6mia by Molmil
Crystal structure of CTX-M-14 with compound 6
Descriptor: 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Beta-lactamase
Authors:Akhtar, A, Chen, Y.
Deposit date:2018-09-19
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
6MJ4
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BU of 6mj4 by Molmil
Crystal structure of MCD1D/INKTCR TERNARY COMPLEX bound to glycolipid (XXW)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zajonc, D.M, Bitra, A, Janssens, J.
Deposit date:2018-09-20
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies.
ChemMedChem, 14, 2019
6MGU
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BU of 6mgu by Molmil
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus Anthracis in the complex with inhibitor Oxanosine monophosphate
Descriptor: 1,2-ETHANEDIOL, 5-[(Z)-(aminomethylidene)amino]-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid, DI(HYDROXYETHYL)ETHER, ...
Authors:Kim, Y, Maltseva, N, Yu, R, Hedstrom, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-09-14
Release date:2018-10-24
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus Anthracis in the complex with inhibitor Oxanosine monophosphate
To Be Published
5MF5
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BU of 5mf5 by Molmil
PA3825-EAL Mg-CdG Structure
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Diguanylate phosphodiesterase, MAGNESIUM ION
Authors:Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M.
Deposit date:2016-11-17
Release date:2016-12-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Sci Rep, 7, 2017
1F8W
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BU of 1f8w by Molmil
CRYSTAL STRUCTURE OF NADH PEROXIDASE MUTANT: R303M
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADH PEROXIDASE
Authors:Yeh, J.I, Claiborne, A, Hol, W.G.J.
Deposit date:2000-07-05
Release date:2001-02-05
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Analysis of the kinetic and redox properties of the NADH peroxidase R303M mutant: correlation with the crystal structure.
Biochemistry, 39, 2000

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