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3SD3
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BU of 3sd3 by Molmil
The structure of the tetrahydrofolate riboswitch containing a U25C mutation
Descriptor: IRIDIUM HEXAMMINE ION, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, Tetrahydrofolate riboswitch
Authors:Reyes, F.E, Trausch, J.J, Ceres, P, Batey, R.T.
Deposit date:2011-06-08
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The structure of a tetrahydrofolate-sensing riboswitch reveals two ligand binding sites in a single aptamer.
Structure, 19, 2011
4RPH
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BU of 4rph by Molmil
Crystal structure of Micobacterium tuberculosis UDP-Galactopyranose mutase in complex with substrate UDP-Galp (reduced)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GALACTOSE-URIDINE-5'-DIPHOSPHATE, UDP-galactopyranose mutase
Authors:Van Straaten, K.E, Sanders, D.A.R.
Deposit date:2014-10-30
Release date:2015-01-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis of Ligand Binding to UDP-Galactopyranose Mutase from Mycobacterium tuberculosis Using Substrate and Tetrafluorinated Substrate Analogues.
J.Am.Chem.Soc., 137, 2015
4C7H
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BU of 4c7h by Molmil
Leismania major N-myristoyltransferase in complex with a peptidomimetic (-NH2) molecule
Descriptor: COENZYME A, DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ...
Authors:Olaleye, T.O, Brannigan, J.A, Goncalves, V, Roberts, S.M, Leatherbarrow, R.J, Wilkinson, A.J, Tate, E.W.
Deposit date:2013-09-20
Release date:2014-09-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Peptidomimetic Inhibitors of N-Myristoyltransferase from Human Malaria and Leishmaniasis Parasites.
Org.Biomol.Chem., 12, 2014
1ZEB
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BU of 1zeb by Molmil
X-ray structure of alkaline phosphatase from human placenta in complex with 5'-AMP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alkaline phosphatase, CALCIUM ION, ...
Authors:Llinas, P, Stura, E.A, Menez, A, Kiss, Z, Stigbrand, T, Millan, J.L, Le Du, M.H.
Deposit date:2005-04-18
Release date:2005-06-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Studies of Human Placental Alkaline Phosphatase in Complex with Functional Ligands.
J.Mol.Biol., 350, 2005
1ZDS
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BU of 1zds by Molmil
Crystal Structure of Met150Gly AfNiR with Acetamide Bound
Descriptor: ACETAMIDE, COPPER (II) ION, Copper-containing nitrite reductase
Authors:Wijma, H.J, MacPherson, I.S, Alexandre, M, Diederix, R.E.M, Canters, G.W, Murphy, M.E.P, Verbeet, M.P.
Deposit date:2005-04-14
Release date:2006-03-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A rearranging ligand enables allosteric control of catalytic activity in copper-containing nitrite reductase.
J.Mol.Biol., 358, 2006
1KM1
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BU of 1km1 by Molmil
Orotidine monophosphate decarboxylase mutant S127A crystal structure
Descriptor: 6-AZA URIDINE 5'-MONOPHOSPHATE, OROTIDINE 5'-PHOSPHATE DECARBOXYLASE
Authors:Wu, N, Gillon, W, Pai, E.F.
Deposit date:2001-12-13
Release date:2002-06-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mapping the active site-ligand interactions of orotidine 5'-monophosphate decarboxylase by crystallography.
Biochemistry, 41, 2002
1ZDQ
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BU of 1zdq by Molmil
Crystal Structure of Met150Gly AfNiR with Methylsulfanyl Methane Bound
Descriptor: (METHYLSULFANYL)METHANE, COPPER (II) ION, Copper-containing nitrite reductase
Authors:Wijma, H.J, MacPherson, I.S, Alexandre, M, Diederix, R.E.M, Canters, G.W, Murphy, M.E.P, Verbeet, M.P.
Deposit date:2005-04-14
Release date:2006-03-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A rearranging ligand enables allosteric control of catalytic activity in copper-containing nitrite reductase.
J.Mol.Biol., 358, 2006
1KM5
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BU of 1km5 by Molmil
Crystal structure of ODCase mutant D75N complexed with 6-azaUMP
Descriptor: 6-AZA URIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, OROTIDINE 5'-PHOSPHATE DECARBOXYLASE
Authors:Wu, N, Gillon, W, Pai, E.F.
Deposit date:2001-12-13
Release date:2002-06-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mapping the active site-ligand interactions of orotidine 5'-monophosphate decarboxylase by crystallography.
Biochemistry, 41, 2002
3OEA
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BU of 3oea by Molmil
Crystal structure of the Q121E mutants of C.polysaccharolyticus CBM16-1 bound to cellopentaose
Descriptor: CALCIUM ION, S-layer associated multidomain endoglucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Agarwal, V, Nair, S.K.
Deposit date:2010-08-12
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Mutational insights into the roles of amino acid residues in ligand binding for two closely related family 16 carbohydrate binding modules.
J.Biol.Chem., 285, 2010
1KJL
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BU of 1kjl by Molmil
High Resolution X-Ray Structure of Human Galectin-3 in complex with LacNAc
Descriptor: BROMIDE ION, CHLORIDE ION, Galectin-3, ...
Authors:Sorme, P, Arnoux, P, Kahl-Knutsson, B, Leffler, H, Rini, J.M, Nilsson, U.J.
Deposit date:2001-12-04
Release date:2005-04-12
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural and thermodynamic studies on cation-Pi interactions in lectin-ligand complexes: high-affinity galectin-3 inhibitors through fine-tuning of an arginine-arene interaction.
J.Am.Chem.Soc., 127, 2005
1KLY
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BU of 1kly by Molmil
Orotidine monophosphate decarboxylase D70G mutant complexed with 6-azaUMP
Descriptor: 6-AZA URIDINE 5'-MONOPHOSPHATE, OROTIDINE 5'-PHOSPHATE DECARBOXYLASE
Authors:Wu, N, Gillon, W, Pai, E.F.
Deposit date:2001-12-13
Release date:2002-06-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mapping the active site-ligand interactions of orotidine 5'-monophosphate decarboxylase by crystallography.
Biochemistry, 41, 2002
1KM4
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BU of 1km4 by Molmil
crystal structure of ODCase mutant K72A complexed with UMP
Descriptor: OROTIDINE 5'-PHOSPHATE DECARBOXYLASE, URIDINE-5'-MONOPHOSPHATE
Authors:Wu, N, Gillon, W, Pai, E.F.
Deposit date:2001-12-13
Release date:2002-06-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mapping the active site-ligand interactions of orotidine 5'-monophosphate decarboxylase by crystallography.
Biochemistry, 41, 2002
4EH3
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BU of 4eh3 by Molmil
Human p38 MAP kinase in complex with NP-F2 and RL87
Descriptor: Mitogen-activated protein kinase 14, NARINGENIN, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
Authors:Over, B, Gruetter, C, Waldmann, H, Rauh, D.
Deposit date:2012-04-02
Release date:2012-12-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
2JOA
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BU of 2joa by Molmil
HtrA1 bound to an optimized peptide: NMR assignment of PDZ domain and ligand resonances
Descriptor: Peptide H1-C1, Serine protease HTRA1
Authors:Runyon, S.T, Zhang, Y, Appleton, B.A, Sazinksy, S.L, Wu, P, Pan, B, Wiesmann, C, Skelton, N.J, Sidhu, S.S.
Deposit date:2007-03-01
Release date:2007-11-20
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Structural and functional analysis of the PDZ domains of human HtrA1 and HtrA3
Protein Sci., 16, 2007
4EH6
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BU of 4eh6 by Molmil
Human p38 MAP kinase in complex with NP-F5 and RL87
Descriptor: Mitogen-activated protein kinase 14, N-phenylpyridine-3-carboxamide, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
Authors:Over, B, Gruetter, C, Waldmann, H, Rauh, D.
Deposit date:2012-04-02
Release date:2012-12-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
3OLS
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BU of 3ols by Molmil
Crystal structure of estrogen receptor beta ligand binding domain
Descriptor: ESTRADIOL, Estrogen receptor beta, Nuclear receptor coactivator 1
Authors:Moecklinghoff, S, Rose, R, Carraz, M, Visser, A, Ottmann, C, Brunsveld, L.
Deposit date:2010-08-26
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Synthesis and crystal structure of a phosphorylated estrogen receptor ligand binding domain.
Chembiochem, 11, 2010
3B99
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BU of 3b99 by Molmil
Crystal structure of zebrafish prostacyclin synthase (cytochrome P450 8A1) in complex with substrate analog U51605
Descriptor: (5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid, PROTOPORPHYRIN IX CONTAINING FE, Prostaglandin I2 synthase
Authors:Li, Y.-C, Chiang, C.-W, Yeh, H.-C, Hsu, P.-Y, Whitby, F.G, Wang, L.-H, Chan, N.-L.
Deposit date:2007-11-03
Release date:2007-11-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal a Ligand-specific Heme Conformation Change
J.Biol.Chem., 283, 2008
3OEB
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BU of 3oeb by Molmil
Crystal structure of the Q121E mutant of C.polysaccharolyticus CBM16-1 bound to mannopentaose
Descriptor: CALCIUM ION, S-layer associated multidomain endoglucanase, SULFATE ION, ...
Authors:Agarwal, V, Nair, S.K.
Deposit date:2010-08-12
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Mutational insights into the roles of amino acid residues in ligand binding for two closely related family 16 carbohydrate binding modules.
J.Biol.Chem., 285, 2010
2OVQ
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BU of 2ovq by Molmil
Structure of the Skp1-Fbw7-CyclinEdegC complex
Descriptor: F-box/WD repeat protein 7, S-phase kinase-associated protein 1A, SULFATE ION, ...
Authors:Hao, B, Oehlmann, S, Sowa, M.E, Harper, J.W, Pavletich, N.P.
Deposit date:2007-02-14
Release date:2007-04-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of a Fbw7-Skp1-Cyclin E Complex: Multisite-Phosphorylated Substrate Recognition by SCF Ubiquitin Ligases
Mol.Cell, 26, 2007
2OVP
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BU of 2ovp by Molmil
Structure of the Skp1-Fbw7 complex
Descriptor: F-box/WD repeat protein 7, S-phase kinase-associated protein 1A
Authors:Hao, B, Oehlmann, S, Sowa, M.E, Harper, J.W, Pavletich, N.P.
Deposit date:2007-02-14
Release date:2007-04-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of a Fbw7-Skp1-Cyclin E Complex: Multisite-Phosphorylated Substrate Recognition by SCF Ubiquitin Ligases
Mol.Cell, 26, 2007
2OVR
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BU of 2ovr by Molmil
Structure of the Skp1-Fbw7-CyclinEdegN complex
Descriptor: F-box/WD repeat protein 7, S-phase kinase-associated protein 1A, SULFATE ION, ...
Authors:Hao, B, Oehlmann, S, Sowa, M.E, Harper, J.W, Pavletich, N.P.
Deposit date:2007-02-14
Release date:2007-04-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a Fbw7-Skp1-Cyclin E Complex: Multisite-Phosphorylated Substrate Recognition by SCF Ubiquitin Ligases
Mol.Cell, 26, 2007
3OR1
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BU of 3or1 by Molmil
Crystal structure of dissimilatory sulfite reductase I (DsrI)
Descriptor: IRON/SULFUR CLUSTER, SIROHEME, SULFITE ION, ...
Authors:Hsieh, Y.C, Liu, M.Y, Wang, V.C.C, Chiang, Y.L, Liu, E.H, Wu, W.G, Chan, S.I, Chen, C.J.
Deposit date:2010-09-06
Release date:2010-09-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structure insights into the enzyme catalysis from comparison of three forms of dissimilatory sulfite reductase from Desulfovibrio gigas
To be Published
2KZG
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BU of 2kzg by Molmil
A Transient and Low Populated Protein Folding Intermediate at Atomic Resolution
Descriptor: Pre-mRNA-processing factor 40 homolog A
Authors:Korzhnev, D.M, Religa, T.L, Banachewicz, W, Fersht, A.R, Kay, L.E.
Deposit date:2010-06-17
Release date:2010-09-29
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A transient and low-populated protein-folding intermediate at atomic resolution.
Science, 329, 2010
4NLF
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BU of 4nlf by Molmil
2'-trifluoromethylthio-2'-deoxycytidine-modified SRL
Descriptor: 23S ribosomal RNA Sarcin Ricin Loop, SULFATE ION
Authors:Ennifar, E, Micura, R, Kosutic, M.
Deposit date:2013-11-14
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1 Å)
Cite:Surprising base pairing and structural properties of 2'-trifluoromethylthio-modified ribonucleic acids.
J.Am.Chem.Soc., 136, 2014
5ACL
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BU of 5acl by Molmil
Mcg immunoglobulin variable domain with sulfasalazine
Descriptor: 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID, MCG, SULFATE ION
Authors:Brumshtein, B, Esswein, S.R, Salwinski, L, Phillips, M.L, Ly, A.T, Cascio, D, Sawaya, M.R, Eisenberg, D.S.
Deposit date:2015-08-17
Release date:2015-12-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Inhibition by small-molecule ligands of formation of amyloid fibrils of an immunoglobulin light chain variable domain.
Elife, 4, 2015

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