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8HIU
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BU of 8hiu by Molmil
Crystal structure of O-carbamoyltransferase VtdB and the compound VtdB with carbamoyladenylate from Streptomyces sp. NO1W98
Descriptor: Carbamoyltransferase, MAGNESIUM ION
Authors:Rao, D, Teng, Y.
Deposit date:2022-11-22
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Crystal structure of O-carbamoyltransferase VtdB and the compound VtdB with carbamoyladenylate from Streptomyces sp. NO1W98
To Be Published
7XB6
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BU of 7xb6 by Molmil
Crystal structure of the O-carbamoyltransferase VtdB in complex with carbamoyl adenylate intermediate
Descriptor: 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, Carbamoyltransferase, MAGNESIUM ION
Authors:Zhang, H, Teng, Y.
Deposit date:2022-03-20
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Crystal structure of O-carbamoyltransferase VtdB from Streptomyces sp. NO1W98 in complex with carbamoyladenylate
To Be Published
2VTD
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BU of 2vtd by Molmil
Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor
Descriptor: N-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE
Authors:Humljan, J, Kotnik, M, Contreras-Martel, C, Blanot, D, Urleb, U, Dessen, A, Solmajer, T, Gobec, S.
Deposit date:2008-05-14
Release date:2008-11-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Novel naphthalene-N-sulfonyl-D-glutamic acid derivatives as inhibitors of MurD, a key peptidoglycan biosynthesis enzyme.
J. Med. Chem., 51, 2008
3VTD
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BU of 3vtd by Molmil
Crystal structure of rat vitamin D receptor bound to a partial agonist 26-adamantyl-23-yne-19-norvitammin D ADTK4
Descriptor: (1R,3R,7E,17beta)-17-{(2R,6S)-6-hydroxy-7-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hept-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor
Authors:Nakabayashi, M, Kudo, T, Tokiwa, H, Makishima, M, Yamada, S, Ikura, T, Ito, N.
Deposit date:2012-05-26
Release date:2013-06-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Combination of Triple Bond and Adamantane Ring on the Vitamin D Side Chain Produced Partial Agonists for Vitamin D Receptor.
J.Med.Chem., 2014
1VTD
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BU of 1vtd by Molmil
UNUSUAL HELICAL PACKING IN CRYSTALS OF DNA BEARING A MUTATION HOT SPOT
Descriptor: DNA (5'-D(*AP*CP*CP*GP*GP*CP*GP*CP*CP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*GP*GP*CP*GP*CP*CP*GP*GP*T)-3')
Authors:Timsit, Y, Westhof, E, Fuchs, R.P.P, Moras, D.
Deposit date:1996-12-12
Release date:2011-07-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Unusual helical packing in crystals of DNA bearing a mutation hot spot.
Nature, 341, 1989
6VTD
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BU of 6vtd by Molmil
Naegleria gruberi RNA ligase R149A mutant with ATP and Mn
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, RNA Ligase
Authors:Unciuleac, M.C, Goldgur, Y, Shuman, S.
Deposit date:2020-02-12
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation.
Nucleic Acids Res., 48, 2020
5VTD
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BU of 5vtd by Molmil
Crystal Structure of the Co-bound Human Heavy-Chain Ferritin variant 122H-delta C-star
Descriptor: CALCIUM ION, CHLORIDE ION, COBALT (II) ION, ...
Authors:Bailey, J.B, Zhang, L, Chiong, J.A, Tezcan, F.A.
Deposit date:2017-05-16
Release date:2017-06-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Synthetic Modularity of Protein-Metal-Organic Frameworks.
J. Am. Chem. Soc., 139, 2017
7VTD
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BU of 7vtd by Molmil
Unliganded structure of Pseudouridine kinase (PUKI) from Escherichia coli strain B
Descriptor: POTASSIUM ION, Pseudouridine kinase
Authors:Kim, S.H, Rhee, S.
Deposit date:2021-10-29
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1505487 Å)
Cite:Substrate-binding loop interactions with pseudouridine trigger conformational changes that promote catalytic efficiency of pseudouridine kinase PUKI.
J.Biol.Chem., 298, 2022
5TGF
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BU of 5tgf by Molmil
Crystal structure of putative beta-lactamase from Bacteroides dorei DSM 17855
Descriptor: CALCIUM ION, GLYCEROL, Uncharacterized protein
Authors:Nocek, B, Hatzos-Skintges, C, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2016-09-27
Release date:2016-10-26
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structure of a beta-lactamase from Bacteroides dorei DSM 17855
To Be Published
8OUG
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BU of 8oug by Molmil
Exo-beta-d-glucosaminidase from Pyrococcus chitonophagus
Descriptor: 1,2-ETHANEDIOL, Beta-galactosidase, CHLORIDE ION
Authors:Rypniewski, W, Biniek-Antosiak, K, Bejger, M.
Deposit date:2023-04-22
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Exo-beta-d-glucosaminidase from Pyrococcus chitonophagus
To Be Published
8ADB
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BU of 8adb by Molmil
Viral tegument-like DUBs
Descriptor: CITRIC ACID, Deubiquitinating enzyme, Ubiquitin, ...
Authors:Erven, I, Abraham, E.T, Hermanns, T, Baumann, U, Hofmann, K.
Deposit date:2022-07-08
Release date:2023-02-15
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A widely distributed family of eukaryotic and bacterial deubiquitinases related to herpesviral large tegument proteins.
Nat Commun, 13, 2022
8ADC
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BU of 8adc by Molmil
Viral tegument-like DUBs
Descriptor: Deubiquitinating enzyme
Authors:Erven, I, Abraham, E.T, Hermanns, T, Baumann, U, Hofmann, K.
Deposit date:2022-07-08
Release date:2023-02-15
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A widely distributed family of eukaryotic and bacterial deubiquitinases related to herpesviral large tegument proteins.
Nat Commun, 13, 2022
7JYS
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BU of 7jys by Molmil
hALK in complex with 3-(3-chlorophenyl)-5-methyl-1H-pyrazole
Descriptor: 1,2-ETHANEDIOL, 3-(3-chlorophenyl)-5-methyl-1H-pyrazole, ALK tyrosine kinase receptor
Authors:McGrath, A.P, Zou, H, Lane, W, Saikatendu, K.
Deposit date:2020-08-31
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design.
Acs Omega, 5, 2020
1MA9
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BU of 1ma9 by Molmil
Crystal structure of the complex of human vitamin D binding protein and rabbit muscle actin
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, Alpha Skeletal Muscle, ...
Authors:Verboven, C, Bogaerts, I, Waelkens, E, Rabijns, A, Van Baelen, H, Bouillon, R, De Ranter, C.
Deposit date:2002-08-02
Release date:2003-02-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Actin-DBP: the perfect structural fit?
Acta Crystallogr.,Sect.D, 59, 2003
1J7E
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BU of 1j7e by Molmil
A Structural Basis for the Unique Binding Features of the Human Vitamin D-binding Protein
Descriptor: 3-(2-{4-[2-(5-HYDROXY-2-METHYLENE-CYCLOHEXYLIDENE)-ETHYLIDENE]-7A-METHYL-OCTAHYDRO-INDEN-1-YL}-PROPYL)-PHENOL, OLEIC ACID, vitamin D binding protein
Authors:Verboven, C, Rabijns, A, De Maeyer, M, Van Baelen, H, Bouillon, R, De Ranter, C.
Deposit date:2001-05-16
Release date:2002-02-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:A structural basis for the unique binding features of the human vitamin D-binding protein.
Nat.Struct.Biol., 9, 2002
1J78
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BU of 1j78 by Molmil
Crystallographic analysis of the human vitamin D binding protein
Descriptor: 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, OLEIC ACID, vitamin D binding protein
Authors:Verboven, C, Rabijns, A, De Maeyer, M, Van Baelen, H, Bouillon, R, De Ranter, C.
Deposit date:2001-05-16
Release date:2002-02-06
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:A structural basis for the unique binding features of the human vitamin D-binding protein.
Nat.Struct.Biol., 9, 2002
1KXP
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BU of 1kxp by Molmil
CRYSTAL STRUCTURE OF HUMAN VITAMIN D-BINDING PROTEIN IN COMPLEX WITH SKELETAL ACTIN
Descriptor: ACTIN,ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, HUMAN VITAMIN D-BINDING PROTEIN, ...
Authors:Otterbein, L.R, Dominguez, R.
Deposit date:2002-02-01
Release date:2002-06-19
Last modified:2013-09-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of the vitamin D-binding protein and its complex with actin: structural basis of the actin-scavenger system.
Proc.Natl.Acad.Sci.USA, 99, 2002
1KW2
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BU of 1kw2 by Molmil
CRYSTAL STRUCTURE OF UNCOMPLEXED VITAMIN D-BINDING PROTEIN
Descriptor: Vitamin D-binding protein
Authors:Otterbein, L.R, Dominguez, R.
Deposit date:2002-01-28
Release date:2002-06-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structures of the vitamin D-binding protein and its complex with actin: structural basis of the actin-scavenger system.
Proc.Natl.Acad.Sci.USA, 99, 2002
1LOT
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BU of 1lot by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF ACTIN WITH VITAMIN D-BINDING PROTEIN
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Head, J.F, Swamy, N, Ray, R.
Deposit date:2002-05-07
Release date:2002-07-31
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the complex between actin and human vitamin D-binding protein at 2.5 A resolution.
Biochemistry, 41, 2002
3VTB
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BU of 3vtb by Molmil
Crystal structure of rat vitamin D receptor bound to a partial agonist 25-adamantyl-23-yne-19-norvitammin D ADTK1
Descriptor: (1R,3R,7E,17beta)-17-{(2R,6S)-6-hydroxy-6-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hex-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor
Authors:Nakabayashi, M, Kudo, T, Tokiwa, H, Makishima, M, Yamada, S, Ikura, T, Ito, N.
Deposit date:2012-05-26
Release date:2013-06-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Combination of Triple Bond and Adamantane Ring on the Vitamin D Side Chain Produced Partial Agonists for Vitamin D Receptor.
J.Med.Chem., 2014
3VTC
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BU of 3vtc by Molmil
Crystal structure of rat vitamin D receptor bound to a partial agonist 26-adamantyl-23-yne-19-norvitammin D ADTK3
Descriptor: (1R,3R,7E,17beta)-17-{(2R,6R)-6-hydroxy-7-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]hept-4-yn-2-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 1,2-ETHANEDIOL, COACTIVATOR PEPTIDE DRIP, ...
Authors:Nakabayashi, M, Kudo, T, Tokiwa, H, Makishima, M, Yamada, S, Ikura, T, Ito, N.
Deposit date:2012-05-26
Release date:2013-06-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Combination of Triple Bond and Adamantane Ring on the Vitamin D Side Chain Produced Partial Agonists for Vitamin D Receptor.
J.Med.Chem., 2014
2VTE
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BU of 2vte by Molmil
Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor
Descriptor: N-({7-[(4-cyanobenzyl)oxy]naphthalen-2-yl}sulfonyl)-D-glutamic acid, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE
Authors:Humljan, J, Kotnik, M, Contreras-Martel, C, Blanot, D, Urleb, U, Dessen, A, Solmajer, T, Gobec, S.
Deposit date:2008-05-14
Release date:2008-11-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel naphthalene-N-sulfonyl-D-glutamic acid derivatives as inhibitors of MurD, a key peptidoglycan biosynthesis enzyme.
J. Med. Chem., 51, 2008
2X5O
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BU of 2x5o by Molmil
Discovery of Novel 5-Benzylidenerhodanine- and 5-Benzylidene- thiazolidine-2,4-dione Inhibitors of MurD Ligase
Descriptor: AZIDE ION, CHLORIDE ION, N-({3-[({4-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL}AMINO)METHYL]PHENYL}CARBONYL)-D-GLUTAMIC ACID, ...
Authors:Zidar, N, Tomasic, T, Sink, R, Rupnik, V, Kovac, A, Turk, S, Contreras-Martel, C, Dessen, A, Blanot, D, Gobec, S, Zega, A, Peterlin-Masic, L, Kikelja, D.
Deposit date:2010-02-10
Release date:2010-09-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Discovery of novel 5-benzylidenerhodanine and 5-benzylidenethiazolidine-2,4-dione inhibitors of MurD ligase.
J. Med. Chem., 53, 2010
2WJP
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BU of 2wjp by Molmil
CRYSTAL STRUCTURE OF MURD LIGASE IN COMPLEX WITH D-GLU CONTAINING RHODANINE INHIBITOR
Descriptor: AZIDE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Tomasic, T, Zidar, N, Sink, R, Kovac, A, Rupnik, V, Turk, S, Contreras-Martel, C, Dessen, A, Blanot, D, Muller-Premru, M, Gobec, S, Zega, A, Peterlin-Masic, L, Kikelj, D.
Deposit date:2009-05-28
Release date:2010-08-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Novel 5-Benzylidenerhodanine and 5-Benzylidenethiazolidine-2,4-Dione Inhibitors of Murd Ligase.
J.Med.Chem., 53, 2010
2Y68
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BU of 2y68 by Molmil
Structure-based design of a new series of D-glutamic acid-based inhibitors of bacterial MurD ligase
Descriptor: 2-[[2-fluoro-5-[[[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic acid, AZIDE ION, CHLORIDE ION, ...
Authors:Tomasic, T, Zidar, N, Sink, R, Kovac, A, Patin, D, Blanot, D, Contreras-Martel, C, Dessen, A, Muller-Premru, M, Zega, A, Gobec, S, Peterlin-Masic, L, Kikelj, D.
Deposit date:2011-01-20
Release date:2011-06-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structure-based design of a new series of D-glutamic acid based inhibitors of bacterial UDP-N-acetylmuramoyl-L-alanine:D-glutamate ligase (MurD).
J. Med. Chem., 54, 2011

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