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3RYM
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BU of 3rym by Molmil
Structure of Oxidized M98K mutant of Amicyanin
Descriptor: Amicyanin, ZINC ION
Authors:Sukumar, N, Davidson, V.L.
Deposit date:2011-05-11
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7039 Å)
Cite:Replacement of the axial copper ligand methionine with lysine in amicyanin converts it to a zinc-binding protein that no longer binds copper.
J.Inorg.Biochem., 105, 2011
2DJQ
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BU of 2djq by Molmil
The solution structure of the first SH3 domain of mouse SH3 domain containing ring finger 2
Descriptor: SH3 domain containing ring finger 2
Authors:Sasagawa, A, Tochio, N, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-04-05
Release date:2006-10-05
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The solution structure of the first SH3 domain of mouse SH3 domain containing ring finger 2
To be Published
8IQN
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BU of 8iqn by Molmil
Crystal structure of the human vitamin D receptor ligand binding domain complexed with 24,24-F2-25(OH)D3
Descriptor: (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R})-5,5-bis(fluoranyl)-6-methyl-6-oxidanyl-heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol, Vitamin D3 receptor
Authors:Kakuda, S.
Deposit date:2023-03-17
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.639 Å)
Cite:Crystal structure of the human vitamin D receptor ligand binding domain complexed with 24,24-F2-25(OH)D3
To Be Published
8IQT
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BU of 8iqt by Molmil
Crystal structure of the human vitamin D receptor ligand binding domain complexed with (23R)-F-25(OH)D3
Descriptor: (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},4~{R})-4-fluoranyl-6-methyl-6-oxidanyl-heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol, Vitamin D3 receptor
Authors:Kakuda, S.
Deposit date:2023-03-17
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.745 Å)
Cite:Crystal structure of the human vitamin D receptor ligand binding domain complexed with (23R)-F-25(OH)D3
To Be Published
4LKP
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BU of 4lkp by Molmil
Crystal Structure of Apo Human Epidermal Fatty Acid Binding Protein (FABP5)
Descriptor: AMMONIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Armstrong, E.H, Ortlund, E.A.
Deposit date:2013-07-08
Release date:2014-03-26
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural basis for ligand regulation of the fatty acid-binding protein 5, peroxisome proliferator-activated receptor beta / delta (FABP5-PPAR beta / delta ) signaling pathway.
J.Biol.Chem., 289, 2014
3RC9
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BU of 3rc9 by Molmil
Crystal Structure of the K102A mutant of KijD10, a 3-ketoreductase from Actinomadura kijaniata in complex with TDP-benzene and NADP
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Holden, H.M, Kubiak, R.L.
Deposit date:2011-03-30
Release date:2011-06-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Combined Structural and Functional Investigation of a C-3''-Ketoreductase Involved in the Biosynthesis of dTDP-l-Digitoxose.
Biochemistry, 50, 2011
1O7V
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BU of 1o7v by Molmil
High resolution structure of Siglec-7
Descriptor: SIALIC ACID BINDING IG-LIKE LECTIN 7, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Alphey, M.S, Attrill, H, Crocker, P.R, Van Aalten, D.M.F.
Deposit date:2002-11-14
Release date:2003-03-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High resolution crystal structures of Siglec-7. Insights into ligand specificity in the Siglec family.
J.Biol.Chem., 278, 2003
8F93
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BU of 8f93 by Molmil
WDR5 covalently modified at Y228 by (R)-2-SF
Descriptor: 3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride, CHLORIDE ION, GLYCEROL, ...
Authors:Taunton, J, Craven, G.B, Chen, Y.
Deposit date:2022-11-23
Release date:2023-05-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Direct mapping of ligandable tyrosines and lysines in cells with chiral sulfonyl fluoride probes.
Nat.Chem., 15, 2023
3AF0
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BU of 3af0 by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with GDP and Pantothenate
Descriptor: CHLORIDE ION, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Chetnani, B, Kumar, P, Surolia, A, Vijayan, M.
Deposit date:2010-02-19
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:M. tuberculosis pantothenate kinase: dual substrate specificity and unusual changes in ligand locations
J.Mol.Biol., 400, 2010
3AF4
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BU of 3af4 by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with GMPPCP
Descriptor: GLYCEROL, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Pantothenate kinase
Authors:Chetnani, B, Kumar, P, Surolia, A, Vijayan, M.
Deposit date:2010-02-22
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:M. tuberculosis pantothenate kinase: dual substrate specificity and unusual changes in ligand locations
J.Mol.Biol., 400, 2010
3AEZ
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BU of 3aez by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with GDP and Phosphopantothenate
Descriptor: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine, ...
Authors:Chetnani, B, Kumar, P, Surolia, A, Vijayan, M.
Deposit date:2010-02-18
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:M. tuberculosis pantothenate kinase: dual substrate specificity and unusual changes in ligand locations
J.Mol.Biol., 400, 2010
1S8H
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BU of 1s8h by Molmil
Crystal structure of Lys49-Phospholipase A2 from Agkistrodon contortrix laticinctus, first fatty acid free form
Descriptor: Phospholipase A2 homolog, SULFATE ION
Authors:Ambrosio, A.L.B, de Souza, D.H.F, Nonato, M.C, Selistre de Araujo, H.S, Ownby, C.L, Garratt, R.C.
Deposit date:2004-02-02
Release date:2004-02-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Molecular Mechanism for Lys49-Phospholipase A2 Activity Based on Ligand-induced Conformational Change.
J.Biol.Chem., 280, 2005
5U8R
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BU of 5u8r by Molmil
Structure of the ectodomain of the human Type 1 insulin-like growth factor receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-MALATE, ...
Authors:Lawrence, M, Xu, Y.
Deposit date:2016-12-14
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.00001621 Å)
Cite:How ligand binds to the type 1 insulin-like growth factor receptor.
Nat Commun, 9, 2018
3PH5
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BU of 3ph5 by Molmil
Bovine beta lactoglobulin crystallized through ligandation of yttrium cations
Descriptor: Beta-lactoglobulin, CHLORIDE ION, YTTRIUM (III) ION
Authors:Zocher, G, Stehle, T.
Deposit date:2010-11-03
Release date:2011-09-21
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Novel Approach to Protein Crystallization through Ligandation of Yttrium Cations
J.Appl.Crystallogr., 44, 2011
3PH6
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BU of 3ph6 by Molmil
Bovine beta lactoglobulin crytsallized through ligandation of yttrium
Descriptor: Beta-lactoglobulin, CHLORIDE ION, YTTRIUM (III) ION
Authors:Zocher, G, Stehle, T.
Deposit date:2010-11-03
Release date:2011-09-21
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Novel Approach to Protein Crystallization through Ligandation of Yttrium Cations
J.Appl.Crystallogr., 44, 2011
3AF2
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BU of 3af2 by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with AMPPCP
Descriptor: GLYCEROL, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Pantothenate kinase
Authors:Chetnani, B, Kumar, P, Surolia, A, Vijayan, M.
Deposit date:2010-02-22
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:M. tuberculosis pantothenate kinase: dual substrate specificity and unusual changes in ligand locations
J.Mol.Biol., 400, 2010
4D4X
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BU of 4d4x by Molmil
Nitrosyl complex of the D121I variant of cytochrome c prime from Alcaligenes xylosoxidans
Descriptor: CYTOCHROME C', HEME C, NITRIC OXIDE
Authors:Gahfoor, D.D, Kekilli, D, Abdullah, G.H, Dworkowski, F.S.N, Hassan, H.G, Wilson, M.T, Hough, M.A, Strange, R.W.
Deposit date:2014-10-31
Release date:2015-09-09
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Hydrogen Bonding of the Dissociated Histidine Ligand is not Required for Formation of a Proximal No Adduct in Cytochrome C'.
J.Biol.Inorg.Chem., 20, 2015
5MZU
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BU of 5mzu by Molmil
Crystal structure of the myosin chaperone UNC-45 from C. elegans (alternative conformation)
Descriptor: UNC-45
Authors:Hellerschmied, D, Gazda, L, Clausen, T.
Deposit date:2017-02-01
Release date:2018-02-14
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:UFD-2 is an adaptor-assisted E3 ligase targeting unfolded proteins.
Nat Commun, 9, 2018
4FDK
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BU of 4fdk by Molmil
F78L Tt H-NOX
Descriptor: Methyl-accepting chemotaxis protein, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Weinert, E.E, Phillips-Piro, C.M, Marletta, M.A.
Deposit date:2012-05-28
Release date:2013-08-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Porphyrin pi-stacking in a heme protein scaffold tunes gas ligand affinity.
J.Inorg.Biochem., 127C, 2013
2Y93
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BU of 2y93 by Molmil
Crystal Structure of cis-Biphenyl-2,3-dihydrodiol-2,3-dehydrogenase (BphB)from Pandoraea pnomenusa strain B-356.
Descriptor: CIS-2,3-DIHYDROBIPHENYL-2,3-DIOL DEHYDROGENASE
Authors:Dhindwal, S, Patil, D.N, Kumar, P.
Deposit date:2011-02-11
Release date:2011-08-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Biochemical Studies and Ligand-Bound Structures of Biphenyl Dehydrogenase from Pandoraea Pnomenusa Strain B-356 Reveal a Basis for Broad Specificity of the Enzyme.
J.Biol.Chem., 286, 2011
4GWO
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BU of 4gwo by Molmil
Crystal structure of ligand binding domain of LysR family member,CysB in complex with sulfate from Salmonella typhimurium LT2
Descriptor: GLYCEROL, HTH-type transcriptional regulator CysB, SULFATE ION
Authors:Mittal, M, Singh, A.K, Kumaran, S.
Deposit date:2012-09-03
Release date:2013-09-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.394 Å)
Cite:Crystal structure of ligand binding domain of LysR family member,CysB in complex with sulfate from Salmonella typhimurium LT2
To be Published
3IRP
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BU of 3irp by Molmil
Crystal structure of functional region of UafA from Staphylococcus saprophyticus at 1.50 angstrom resolution
Descriptor: GLYCEROL, POTASSIUM ION, Uro-adherence factor A
Authors:Tanaka, Y, Shouji, Y, Matsuoka, E, Kuroda, M, Tanaka, I, Yao, M.
Deposit date:2009-08-24
Release date:2010-09-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the functional region of Uro-adherence factor A from Staphylococcus saprophyticus reveals participation of the B domain in ligand binding
Protein Sci., 20, 2011
3IRZ
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BU of 3irz by Molmil
Crystal structure of functional region of UafA from Staphylococcus saprophyticus in P212121 form
Descriptor: GLYCEROL, Uro-adherence factor A
Authors:Tanaka, Y, Shouji, Y, Matsuoka, E, Kuroda, M, Tanaka, I, Yao, M.
Deposit date:2009-08-24
Release date:2010-09-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the functional region of Uro-adherence factor A from Staphylococcus saprophyticus reveals participation of the B domain in ligand binding
Protein Sci., 20, 2011
3MCV
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BU of 3mcv by Molmil
Structure of PTR1 from Trypanosoma brucei in ternary complex with 2,4-diamino-5-[2-(2,5-dimethoxyphenyl)ethyl]thieno[2,3-d]-pyrimidine and NADP+
Descriptor: 5-[2-(2,5-dimethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Tulloch, L.B, Hunter, W.N.
Deposit date:2010-03-29
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High-resolution structures of Trypanosoma brucei pteridine reductase ligand complexes inform on the placement of new molecular entities in the active site of a potential drug target.
Acta Crystallogr.,Sect.D, 66, 2010
2ECT
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BU of 2ect by Molmil
Solution structure of the Zinc finger, C3HC4 type (RING finger) domain of RING finger protein 126
Descriptor: RING finger protein 126, ZINC ION
Authors:Abe, H, Miyamoto, K, Tochio, N, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-02-14
Release date:2008-02-19
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the Zinc finger, C3HC4 type (RING finger) domain of RING finger protein 126
To be Published

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