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5AZG
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BU of 5azg by Molmil
Crystal structure of LGG-1 complexed with a UNC-51 peptide
Descriptor: CADMIUM ION, Protein lgg-1, Serine/threonine-protein kinase unc-51
Authors:Watanabe, Y, Fujioka, Y, Noda, N.N.
Deposit date:2015-10-05
Release date:2015-12-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural Basis of the Differential Function of the Two C. elegans Atg8 Homologs, LGG-1 and LGG-2, in Autophagy.
Mol.Cell, 60, 2015
1A65
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BU of 1a65 by Molmil
TYPE-2 CU-DEPLETED LACCASE FROM COPRINUS CINEREUS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, LACCASE, ...
Authors:Ducros, V, Brzozowski, W.
Deposit date:1998-03-05
Release date:1999-03-30
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal structure of the type-2 Cu depleted laccase from Coprinus cinereus at 2.2 A resolution.
Nat.Struct.Biol., 5, 1998
1T4M
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BU of 1t4m by Molmil
STRUCTURE OF A THERMOSTABLE DOUBLE MUTANT OF BACILLUS SUBTILIS LIPASE OBTAINED THROUGH DIRECTED EVOLUTION
Descriptor: LIPASE A, POTASSIUM ION
Authors:Rajakumara, E, Sankaranarayanan, R.
Deposit date:2004-04-30
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of selection and thermostability of laboratory evolved Bacillus subtilis lipase
J.Mol.Biol., 341, 2004
2G1S
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BU of 2g1s by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring
Descriptor: (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
Authors:Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P.
Deposit date:2006-02-14
Release date:2006-06-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
3AW6
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BU of 3aw6 by Molmil
Crystal structure of tetragonal hen egg white lysozyme at 84.2% relative humidity
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
Authors:Takayama, Y, Nakasako, M.
Deposit date:2011-03-11
Release date:2011-03-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A few low-frequency normal modes predominantly contribute to conformational responses of hen egg white lysozyme in the tetragonal crystal to variations of molecular packing controlled by environmental humidity
Biophys.Chem., 159, 2011
1T1H
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BU of 1t1h by Molmil
NMR solution structure of the U box domain from AtPUB14, an armadillo repeat containing protein from Arabidopsis thaliana
Descriptor: armadillo repeat containing protein
Authors:Andersen, P, Kragelund, B.B, Olsen, A.N, Larsen, F.H, Chua, N.-H, Poulsen, F.M, Skriver, K.
Deposit date:2004-04-16
Release date:2004-08-03
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure and Biochemical Function of a Prototypical Arabidopsis U-box Domain
J.Biol.Chem., 279, 2004
2F1B
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BU of 2f1b by Molmil
GOLGI ALPHA-MANNOSIDASE II COMPLEX WITH (2R,3R,4S,5R)-2-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)-5-methylpyrrolidine-3,4-diol
Descriptor: (2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-3,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2005-11-14
Release date:2006-12-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Evaluation of docking programs for predicting binding of Golgi alpha-mannosidase II inhibitors: a comparison with crystallography.
Proteins, 69, 2007
2FDJ
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BU of 2fdj by Molmil
Crystal Structure of AlkB in complex with Fe(II) and succinate
Descriptor: Alkylated DNA repair protein alkB, FE (II) ION, SUCCINIC ACID
Authors:Yu, B, Benach, J, Edstrom, W.C, Gibney, B.R, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2005-12-14
Release date:2006-02-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of catalytic complexes of the oxidative DNA/RNA repair enzyme AlkB.
Nature, 439, 2006
4RKG
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BU of 4rkg by Molmil
Structure of the MSL2 CXC domain bound with a non-specific (GC)6 DNA
Descriptor: DNA (5'-D(*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*GP*C)-3'), E3 ubiquitin-protein ligase msl-2, ZINC ION
Authors:Zheng, S, Ye, K.
Deposit date:2014-10-13
Release date:2015-01-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of X chromosome DNA recognition by the MSL2 CXC domain during Drosophila dosage compensation.
Genes Dev., 28, 2014
4O4J
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BU of 4o4j by Molmil
Tubulin-Peloruside A complex
Descriptor: CALCIUM ION, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Prota, A.E, Bargsten, K, Northcote, P.T, Marsh, M, Altmann, K.H, Miller, J.H, Diaz, J.F, Steinmetz, M.O.
Deposit date:2013-12-18
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of microtubule stabilization by laulimalide and peloruside A.
Angew.Chem.Int.Ed.Engl., 53, 2014
2FDF
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BU of 2fdf by Molmil
Crystal Structure of AlkB in complex with Co(II), 2-oxoglutarate, and methylated trinucleotide T-meA-T
Descriptor: 2-OXOGLUTARIC ACID, 5'-D(P*TP*(MA7)P*T)-3', Alkylated DNA repair protein alkB, ...
Authors:Yu, B, Benach, J, Edstrom, W.C, Gibney, B.R, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2005-12-13
Release date:2006-02-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of catalytic complexes of the oxidative DNA/RNA repair enzyme AlkB.
Nature, 439, 2006
4O4L
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BU of 4o4l by Molmil
Tubulin-Peloruside A-Epothilone A complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, EPOTHILONE A, ...
Authors:Prota, A.E, Bargsten, K, Northcote, P.T, Marsh, M, Altmann, K.H, Miller, J.H, Diaz, J.F, Steinmetz, M.O.
Deposit date:2013-12-18
Release date:2014-03-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of microtubule stabilization by laulimalide and peloruside a.
Angew.Chem.Int.Ed.Engl., 53, 2014
3EUF
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BU of 3euf by Molmil
Crystal structure of BAU-bound human uridine phosphorylase 1
Descriptor: 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE, PHOSPHATE ION, Uridine phosphorylase 1
Authors:Roosild, T.P.
Deposit date:2008-10-10
Release date:2009-03-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Implications of the structure of human uridine phosphorylase 1 on the development of novel inhibitors for improving the therapeutic window of fluoropyrimidine chemotherapy.
Bmc Struct.Biol., 9, 2009
5AZH
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BU of 5azh by Molmil
Crystal structure of LGG-2 fused with an EEEWEEL peptide
Descriptor: EEEWEEL peptide,Protein lgg-2, MAGNESIUM ION
Authors:Watanabe, Y, Fujioka, Y, Noda, N.N.
Deposit date:2015-10-05
Release date:2015-12-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of the Differential Function of the Two C. elegans Atg8 Homologs, LGG-1 and LGG-2, in Autophagy.
Mol.Cell, 60, 2015
6NNG
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BU of 6nng by Molmil
Tubulin-RB3_SLD-TTL in complex with compound DJ95
Descriptor: 2-(1H-indol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Kumar, G, Wang, Y, Li, W, White, S.W.
Deposit date:2019-01-15
Release date:2019-07-10
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Colchicine Binding Site Agent DJ95 Overcomes Drug Resistance and Exhibits Antitumor Efficacy.
Mol.Pharmacol., 96, 2019
3AW7
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BU of 3aw7 by Molmil
Crystal structure of tetragonal hen egg white lysozyme at 71.9% relative humidity
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
Authors:Takayama, Y, Nakasako, M.
Deposit date:2011-03-11
Release date:2011-03-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A few low-frequency normal modes predominantly contribute to conformational responses of hen egg white lysozyme in the tetragonal crystal to variations of molecular packing controlled by environmental humidity
Biophys.Chem., 159, 2011
1THN
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BU of 1thn by Molmil
Crystal Structures of the ADP and ATP bound forms of the Bacillus Anti-sigma factor SpoIIAB in complex with the Anti-anti-sigma SpoIIAA: inhibitory complex with ADP, crystal form I
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Anti-sigma F factor, Anti-sigma F factor antagonist, ...
Authors:Masuda, S, Murakami, K.S, Wang, S, Olson, C.A, Donigan, J, Leon, F, Darst, S.A, Campbell, E.A.
Deposit date:2004-06-01
Release date:2004-06-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structures of the ADP and ATP Bound Forms of the Bacillus Anti-sigma Factor SpoIIAB in Complex with the Anti-anti-sigma SpoIIAA.
J.Mol.Biol., 340, 2004
6G2G
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BU of 6g2g by Molmil
Fe-S assembly Cfd1
Descriptor: Cytosolic Fe-S cluster assembly factor CFD1, IRON/SULFUR CLUSTER, SULFATE ION
Authors:Jeoung, J.H, Dobbek, H.
Deposit date:2018-03-23
Release date:2019-01-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Function and crystal structure of the dimeric P-loop ATPase CFD1 coordinating an exposed [4Fe-4S] cluster for transfer to apoproteins.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3AYE
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BU of 3aye by Molmil
Crystal structure of galectin-3 CRD domian complexed with lactose
Descriptor: Galectin-3, SULFATE ION, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Bian, C.F, Li, D.F, Wang, D.C.
Deposit date:2011-05-04
Release date:2011-10-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for distinct binding properties of the human galectins to thomsen-friedenreich antigen
Plos One, 6, 2011
3HN4
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BU of 3hn4 by Molmil
Crystal structure of the NK2 fragment (28-289) of human hepatocyte growth factor/scatter factor
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hepatocyte growth factor, ...
Authors:Tolbert, W.D.
Deposit date:2009-05-29
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for agonism and antagonism of hepatocyte growth factor.
Proc.Natl.Acad.Sci.USA, 107, 2010
5UTI
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BU of 5uti by Molmil
Crystal Structure of TGT in complex with fragment in preQ1 pocket
Descriptor: DIMETHYL SULFOXIDE, L-CANAVANINE, Queuine tRNA-ribosyltransferase, ...
Authors:Hassaan, E, Heine, A, Klebe, G.
Deposit date:2017-02-15
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Chemmedchem, 15, 2020
2F18
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BU of 2f18 by Molmil
GOLGI ALPHA-MANNOSIDASE II complex with (2R,3R,4S)-2-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol
Descriptor: (2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-3,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2005-11-14
Release date:2006-12-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Evaluation of docking programs for predicting binding of Golgi alpha-mannosidase II inhibitors: a comparison with crystallography.
Proteins, 69, 2007
4RUY
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BU of 4ruy by Molmil
Crystal structure of human Carbonic Anhydrase II in complex with 4-propoxybenzenesulfonamide
Descriptor: 4-propoxybenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Pinard, M.A, Mckenna, R.
Deposit date:2014-11-23
Release date:2015-04-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.
Bioorg.Med.Chem., 23, 2015
3FV4
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BU of 3fv4 by Molmil
Thermolysin inhibition
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Englert, L, Biela, A, Heine, A, Klebe, G.
Deposit date:2009-01-15
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Displacement of disordered water molecules from hydrophobic pocket creates enthalpic signature: binding of phosphonamidate to the S1'-pocket of thermolysin.
Biochim.Biophys.Acta, 1800, 2010
2EWN
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BU of 2ewn by Molmil
Ecoli Biotin Repressor with co-repressor analog
Descriptor: ((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL 5-((3AS,4S,6AR)-2-OXO-HEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL)PENTYL HYDROGEN PHOSPHATE, BirA bifunctional protein
Authors:Wood, Z.A, Weaver, L.H, Matthews, B.W.
Deposit date:2005-11-04
Release date:2006-02-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Co-repressor Induced Order and Biotin Repressor Dimerization: A Case for Divergent Followed by Convergent Evolution.
J.Mol.Biol., 357, 2006

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