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1XKI
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BU of 1xki by Molmil
Crystal structure of human tear lipocalin/von Ebners gland protein
Descriptor: CHLORIDE ION, Von Ebner's gland protein, ZINC ION
Authors:Breustedt, D.A, Korndoerfer, I.P, Redl, B, Skerra, A.
Deposit date:2004-09-29
Release date:2004-10-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The 1.8-A crystal structure of human tear lipocalin reveals an extended branched cavity with capacity for multiple ligands
J.Biol.Chem., 280, 2005
3RC7
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BU of 3rc7 by Molmil
Crystal Structure of the Y186F 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 (2 Å)
Cite:Combined Structural and Functional Investigation of a C-3''-Ketoreductase Involved in the Biosynthesis of dTDP-l-Digitoxose.
Biochemistry, 50, 2011
1T5K
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BU of 1t5k by Molmil
Crystal structure of amicyanin substituted with cobalt
Descriptor: Amicyanin, COBALT (II) ION, PHOSPHATE ION
Authors:Carrell, C.J, Wang, X, Jones, L, Jarrett, W.L, Davidson, V.L, Mathews, F.S.
Deposit date:2004-05-04
Release date:2004-07-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystallographic and NMR Investigation of Cobalt-Substituted Amicyanin.
Biochemistry, 43, 2004
1V45
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BU of 1v45 by Molmil
Crystal Structure of human PNP complexed with 3-deoxyguanosine
Descriptor: 9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINE, Purine nucleoside phosphorylase, SULFATE ION
Authors:Canduri, F, Dos Santos, D.M, Silva, R.G, Mendes, M.A, Palma, M.S, De Azevedo Jr, W.F, Basso, L.A, Santos, D.S.
Deposit date:2003-11-10
Release date:2004-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structure of human PNP complexed with ligands.
Acta Crystallogr.,Sect.D, 61, 2005
3RC1
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BU of 3rc1 by Molmil
Crystal Structure of KijD10, a 3-ketoreductase from Actinomadura kijaniata incomplex with NADP and TDP-benzene
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine, CHLORIDE ION, ...
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 (1.71 Å)
Cite:Combined Structural and Functional Investigation of a C-3''-Ketoreductase Involved in the Biosynthesis of dTDP-l-Digitoxose.
Biochemistry, 50, 2011
2WZK
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BU of 2wzk by Molmil
Structure of the Cul5 N-terminal domain at 2.05A resolution.
Descriptor: 1,2-ETHANEDIOL, CULLIN-5
Authors:Muniz, J.R.C, Ayinampudi, V, Zhang, Y, Babon, J.J, Chaikuad, A, Krojer, T, Pike, A.C.W, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bullock, A.N.
Deposit date:2009-11-30
Release date:2009-12-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Molecular Architecture of the Ankyrin Socs Box Family of Cul5-Dependent E3 Ubiquitin Ligases
J.Mol.Biol., 425, 2013
6JX6
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BU of 6jx6 by Molmil
Tetrameric form of Smac
Descriptor: Diablo homolog, mitochondrial
Authors:Sivaraman, J, Singh, S, Ng, J, Nayak, D.
Deposit date:2019-04-22
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Structural insights into a HECT-type E3 ligase AREL1 and its ubiquitination activitiesin vitro.
J.Biol.Chem., 294, 2019
3H0W
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BU of 3h0w by Molmil
Human AdoMetDC with 5'-Deoxy-5'-[(N-dimethyl)amino]-8-methyl-adenosine
Descriptor: 1,4-DIAMINOBUTANE, 5'-deoxy-5'-(dimethylamino)-8-methyladenosine, PYRUVIC ACID, ...
Authors:Bale, S, Brooks, W.H, Hanes, J.W, Mahesan, A.M, Guida, W.C, Ealick, S.E.
Deposit date:2009-04-10
Release date:2009-06-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Role of the sulfonium center in determining the ligand specificity of human s-adenosylmethionine decarboxylase.
Biochemistry, 48, 2009
1N6V
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BU of 1n6v by Molmil
Average structure of the interferon-binding ectodomain of the human type I interferon receptor
Descriptor: Interferon-alpha/beta receptor beta chain
Authors:Chill, J.H, Quadt, S.R, Levy, R, Schreiber, G, Anglister, J.
Deposit date:2002-11-12
Release date:2003-07-15
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:The human type I interferon receptor. NMR structure reveals the molecular basis of ligand binding.
Structure, 11, 2003
4PWL
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BU of 4pwl by Molmil
Crystal structure of the complex between PPARgamma-LBD and the S enantiomer of Mbx-102 (Metaglidasen)
Descriptor: (2S)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Lavecchia, A, Piemontese, L.
Deposit date:2014-03-20
Release date:2015-02-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:On the metabolically active form of metaglidasen: improved synthesis and investigation of its peculiar activity on peroxisome proliferator-activated receptors and skeletal muscles.
Chemmedchem, 10, 2015
1IL3
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BU of 1il3 by Molmil
STRUCTURE OF RICIN A CHAIN BOUND WITH INHIBITOR 7-DEAZAGUANINE
Descriptor: 7-DEAZAGUANINE, RICIN A CHAIN
Authors:Miller, D.J, Ravikumar, K, Shen, H, Suh, J.-K, Kerwin, S.M, Robertus, J.D.
Deposit date:2001-05-07
Release date:2002-01-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based design and characterization of novel platforms for ricin and shiga toxin inhibition.
J.Med.Chem., 45, 2002
9JMC
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BU of 9jmc by Molmil
Cryo-EM structure of the DS-3801b-Motilin receptor-Gq protein complex
Descriptor: 4-[3-(hydroxymethyl)phenoxy]-~{N}-methyl-~{N}-[3-methyl-4-[[(3~{S})-3-methylpiperazin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Xu, H.E, You, C, Jiang, Y.
Deposit date:2024-09-20
Release date:2025-05-28
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.57 Å)
Cite:Decoding the structural basis of ligand recognition and biased signaling in the motilin receptor.
Cell Rep, 44, 2025
1IL9
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BU of 1il9 by Molmil
STRUCTURE OF RICIN A CHAIN BOUND WITH INHIBITOR 8-METHYL-9-OXOGUANINE
Descriptor: 5-AMINO-2-METHYL-6H-OXAZOLO[5,4-D]PYRIMIDIN-7-ONE, RICIN A CHAIN
Authors:Miller, D.J, Ravikumar, K, Shen, H, Suh, J.-K, Kerwin, S.M, Robertus, J.D.
Deposit date:2001-05-07
Release date:2002-01-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-based design and characterization of novel platforms for ricin and shiga toxin inhibition.
J.Med.Chem., 45, 2002
3H0V
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BU of 3h0v by Molmil
Human AdoMetDC with 5'-Deoxy-5'-(dimethylsulfonio) adenosine
Descriptor: 1,4-DIAMINOBUTANE, 5'-deoxy-5'-(dimethyl-lambda~4~-sulfanyl)adenosine, PYRUVIC ACID, ...
Authors:Bale, S, Brooks, W.H, Hanes, J.W, Mahesan, A.M, Guida, W.C, Ealick, S.E.
Deposit date:2009-04-10
Release date:2009-06-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Role of the sulfonium center in determining the ligand specificity of human s-adenosylmethionine decarboxylase.
Biochemistry, 48, 2009
5CKU
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BU of 5cku by Molmil
Structure of Aspergillus fumigatus ornithine hydroxylase (SidA) mutant N323A bound to NADP and ornithine
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, L-ornithine, ...
Authors:Tanner, J.J, Qureshi, I.A.
Deposit date:2015-07-15
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Contribution to catalysis of ornithine binding residues in ornithine N5-monooxygenase.
Arch.Biochem.Biophys., 585, 2015
3RBV
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BU of 3rbv by Molmil
Crystal Structure of KijD10, a 3-ketoreductase from Actinomadura kijaniata incomplex with NADP
Descriptor: 1,2-ETHANEDIOL, 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:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Combined Structural and Functional Investigation of a C-3''-Ketoreductase Involved in the Biosynthesis of dTDP-l-Digitoxose.
Biochemistry, 50, 2011
5BV5
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BU of 5bv5 by Molmil
Structure of CYP119 with T213A and C317H mutations
Descriptor: 4-PHENYL-1H-IMIDAZOLE, Cytochrome P450 119, PHOSPHATE ION, ...
Authors:Buller, A.R, Heel, T, McIntosh, J.A, Arnold, F.H.
Deposit date:2015-06-04
Release date:2016-02-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Adaptability Facilitates Histidine Heme Ligation in a Cytochrome P450.
J.Am.Chem.Soc., 137, 2015
3A7L
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BU of 3a7l by Molmil
Crystal structure of E. coli apoH-protein
Descriptor: Glycine cleavage system H protein
Authors:Fujiwara, K, Maita, N.
Deposit date:2009-09-28
Release date:2010-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Global conformational change associated with the two-step reaction catalyzed by Escherichia coli lipoate-protein ligase A.
J.Biol.Chem., 285, 2010
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
3RC2
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BU of 3rc2 by Molmil
Crystal Structure of KijD10, a 3-ketoreductase from Actinomadura kijaniata in complex with TDP-benzene and NADP; open conformation
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine, CHLORIDE ION, ...
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 (1.8 Å)
Cite:Combined Structural and Functional Investigation of a C-3''-Ketoreductase Involved in the Biosynthesis of dTDP-l-Digitoxose.
Biochemistry, 50, 2011
3RCB
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BU of 3rcb by Molmil
Crystal structure of the K102E 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 (2.49 Å)
Cite:Combined Structural and Functional Investigation of a C-3''-Ketoreductase Involved in the Biosynthesis of dTDP-l-Digitoxose.
Biochemistry, 50, 2011
3K2F
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BU of 3k2f by Molmil
Nitric oxide-donating carbonic anhydrase inhibitors for the treatment of open-angle glaucoma
Descriptor: (2S)-2,3-bis(nitrooxy)propyl ethyl[(4S,6S)-6-methyl-7,7-dioxido-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate, Carbonic anhydrase 2, MERCURY (II) ION, ...
Authors:Temperini, C, Cecchi, A.
Deposit date:2009-09-30
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Nitric oxide-donating carbonic anhydrase inhibitors for the treatment of open-angle glaucoma
Bioorg.Med.Chem.Lett., 19, 2009
5U8Q
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BU of 5u8q by Molmil
Structure of the ectodomain of the human Type 1 insulin-like growth factor receptor in complex with IGF-I
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:2024-10-23
Method:X-RAY DIFFRACTION (3.2710402 Å)
Cite:How ligand binds to the type 1 insulin-like growth factor receptor.
Nat Commun, 9, 2018
4KWO
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BU of 4kwo by Molmil
tRNA guanine transglycosylase (TGT) in complex with Furanoside-Based lin-Benzoguanine 3
Descriptor: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION, ...
Authors:Ehrmann, F.R, Heine, A, Klebe, G.
Deposit date:2013-05-24
Release date:2014-12-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Replacement of Water Molecules in a Phosphate Binding Site by Furanoside-Appended lin-Benzoguanine Ligands of tRNA-Guanine Transglycosylase (TGT).
Chemistry, 21, 2015
3P2H
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BU of 3p2h by Molmil
Crystal structure of TofI in a ternary complex with an inhibitor and MTA
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, AHL synthase, N-(3-oxocyclohex-1-en-1-yl)octanamide
Authors:Yu, S, Rhee, S.
Deposit date:2010-10-02
Release date:2011-07-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Small-molecule inhibitor binding to an N-acyl-homoserine lactone synthase
Proc.Natl.Acad.Sci.USA, 108, 2011

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