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1LDM
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BU of 1ldm by Molmil
Refined crystal structure of dogfish M4 apo-lactate dehydrogenase
Descriptor: M4 LACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXAMIC ACID
Authors:Griffith, J.P, Rossmann, M.G.
Deposit date:1987-11-25
Release date:1989-07-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Refined crystal structure of dogfish M4 apo-lactate dehydrogenase.
J.Mol.Biol., 198, 1987
3OJG
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BU of 3ojg by Molmil
Structure of an inactive lactonase from Geobacillus kaustophilus with bound N-butyryl-DL-homoserine lactone
Descriptor: FE (III) ION, N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide, Phosphotriesterase, ...
Authors:Xue, B, Chow, J.Y, Tung, A, Robinson, R.C.
Deposit date:2010-08-22
Release date:2010-10-27
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Directed evolution of a thermostable quorum-quenching lactonase from the amidohydrolase superfamily
J.Biol.Chem., 285, 2010
8GEM
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BU of 8gem by Molmil
Crystal structure of human cellular retinol binding protein 1 in complex with N-ethyl-N-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(1H-pyrazol-1-yl)ethanamine
Descriptor: N-ethyl-N-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(1H-pyrazol-1-yl)ethan-1-amine, Retinol-binding protein 1
Authors:Plau, J, Golczak, M.
Deposit date:2023-03-07
Release date:2023-10-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms.
Acs Chem.Biol., 18, 2023
8GDM
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BU of 8gdm by Molmil
Crystal structure of human cellular retinol binding protein 1 in complex with {[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl)[1-(thiophen-2-yl)ethyl]amine
Descriptor: (1S)-N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-1-(thiophen-2-yl)ethan-1-amine, Retinol-binding protein 1
Authors:Plau, J, Golczak, M.
Deposit date:2023-03-06
Release date:2023-10-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms.
Acs Chem.Biol., 18, 2023
8GEY
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BU of 8gey by Molmil
Crystal structure of human cellular retinol binding protein 1 in complex with 4-(hydroxymethyl)-1-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]piperidin-4-ol
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(hydroxymethyl)-1-(4-methoxy-5,6,7,8-tetrahydronaphthalene-1-sulfonyl)piperidin-4-ol, Retinol-binding protein 1
Authors:Plau, J, Golczak, M.
Deposit date:2023-03-07
Release date:2023-10-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms.
Acs Chem.Biol., 18, 2023
8GD2
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BU of 8gd2 by Molmil
Crystal structure of human cellular retinol binding protein 1 in complex with N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-(2-thienylmethyl)methanamine
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(thiophen-2-yl)methyl]methanamine, Retinol-binding protein 1
Authors:Plau, J, Golczak, M.
Deposit date:2023-03-03
Release date:2023-10-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms.
Acs Chem.Biol., 18, 2023
8GEV
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BU of 8gev by Molmil
Crystal structure of human cellular retinol binding protein 1 in complex with 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine
Descriptor: 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine, Retinol-binding protein 1
Authors:Plau, J, Golczak, M.
Deposit date:2023-03-07
Release date:2023-10-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms.
Acs Chem.Biol., 18, 2023
8GEU
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BU of 8geu by Molmil
Crystal structure of human cellular retinol binding protein 1 in complex with methyl({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)[(1-methylpyrazol-4-yl)methyl]amine
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]methanamine, Retinol-binding protein 1
Authors:Plau, J, Golczak, M.
Deposit date:2023-03-07
Release date:2023-10-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms.
Acs Chem.Biol., 18, 2023
3OUM
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BU of 3oum by Molmil
Crystal Structure of toxoflavin-degrading enzyme in complex with toxoflavin
Descriptor: 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione, MANGANESE (II) ION, toxoflavin-degrading enzyme
Authors:Kim, M.I, Rhee, S.
Deposit date:2010-09-15
Release date:2011-08-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional analysis of phytotoxin toxoflavin-degrading enzyme
Plos One, 6, 2011
3OUL
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BU of 3oul by Molmil
Crystal Structure of toxoflavin-degrading enzyme in a substrate-free form
Descriptor: MANGANESE (II) ION, Toxoflavin-degrading enzyme
Authors:Kim, M.I, Rhee, S.
Deposit date:2010-09-15
Release date:2011-08-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and functional analysis of phytotoxin toxoflavin-degrading enzyme
Plos One, 6, 2011
3OHG
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BU of 3ohg by Molmil
Crystal structure of a protein with unknown function from DUF2233 family (BACOVA_00430) from Bacteroides ovatus at 1.80 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-08-17
Release date:2010-09-08
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and function of the DUF2233 domain in bacteria and in the human mannose 6-phosphate uncovering enzyme.
J.Biol.Chem., 288, 2013
3OGN
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BU of 3ogn by Molmil
Crystal Structure of an Odorant-binding Protein from the Southern House Mosquito Complexed with an Oviposition Pheromone
Descriptor: (1S)-1-[(2R)-6-oxotetrahydro-2H-pyran-2-yl]undecyl acetate, MAGNESIUM ION, Odorant-binding protein
Authors:Mao, Y, Clardy, J.
Deposit date:2010-08-17
Release date:2010-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal and solution structures of an odorant-binding protein from the southern house mosquito complexed with an oviposition pheromone.
Proc.Natl.Acad.Sci.USA, 107, 2010
3Q8W
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BU of 3q8w by Molmil
A b-aminoacyl containing thiazolidine derivative and DPPIV complex
Descriptor: Dipeptidyl peptidase 4, N-(4-{[({(2R)-3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidin-2-yl}carbonyl)amino]methyl}phenyl)-D-valine
Authors:Lee, J.O, Song, D.H.
Deposit date:2011-01-07
Release date:2011-03-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.64 Å)
Cite:Discovery of b-aminoacyl containing thiazolidine derivatives as potent and selective dipeptidyl peptidase IV inhibitors
To be Published
2ACL
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BU of 2acl by Molmil
Liver X-Receptor alpha Ligand Binding Domain with SB313987
Descriptor: 1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE, Oxysterols receptor LXR-alpha, RETINOIC ACID, ...
Authors:Jaye, M.C, Krawiec, J.A, Campobasso, N, Smallwood, A, Qiu, C, Lu, Q, Kerrigan, J.J.
Deposit date:2005-07-19
Release date:2005-09-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of substituted maleimides as liver x receptor agonists and determination of a ligand-bound crystal structure.
J.Med.Chem., 48, 2005
2BAK
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BU of 2bak by Molmil
p38alpha MAP kinase bound to MPAQ
Descriptor: Mitogen-activated protein kinase 14, N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE
Authors:Gerhardt, S, Breed, J, Pauptit, R.A, Read, J, Norman, R.A, Ward, W.H.
Deposit date:2005-10-14
Release date:2005-12-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase
Biochemistry, 44, 2005
2BAL
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BU of 2bal by Molmil
p38alpha MAP kinase bound to pyrazoloamine
Descriptor: Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE
Authors:Gerhardt, S, Pauptit, R.A, Read, J, Tucker, J, Norman, R.A, Breed, J.
Deposit date:2005-10-14
Release date:2005-12-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase.
Biochemistry, 44, 2005
2BAJ
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BU of 2baj by Molmil
p38alpha bound to pyrazolourea
Descriptor: 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2,3-dichlorophenyl)urea, Mitogen-activated protein kinase 14
Authors:Gerhardt, S, Pauptit, R.A, Read, J, Breed, J, Norman, R.A, Ward, W.H.
Deposit date:2005-10-14
Release date:2005-12-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase
Biochemistry, 44, 2005
2BAQ
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BU of 2baq by Molmil
p38alpha bound to Ro3201195
Descriptor: Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE
Authors:Gerhardt, S, Pauptit, R.A, Breed, J, Read, J, Tucker, J, Norman, R.A.
Deposit date:2005-10-14
Release date:2005-12-06
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase.
Biochemistry, 44, 2005
8R1J
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BU of 8r1j by Molmil
Structure of avian H5N1 influenza A polymerase dimer in complex with human ANP32B.
Descriptor: Acidic leucine-rich nuclear phosphoprotein 32 family member B, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Carrique, L, Staller, E, Keown, J.R, Fan, H, Fodor, E, Grimes, J.M.
Deposit date:2023-11-02
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structures of H5N1 influenza polymerase with ANP32B reveal mechanisms of genome replication and host adaptation.
Nat Commun, 15, 2024
8R1L
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BU of 8r1l by Molmil
Structure of avian H5N1 influenza A polymerase in complex with human ANP32B.
Descriptor: Acidic leucine-rich nuclear phosphoprotein 32 family member B, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Carrique, L, Staller, E, Keown, J.R, Fan, H, Fodor, E, Grimes, J.M.
Deposit date:2023-11-02
Release date:2024-05-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structures of H5N1 influenza polymerase with ANP32B reveal mechanisms of genome replication and host adaptation.
Nat Commun, 15, 2024
8SKP
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BU of 8skp by Molmil
X-ray structure of the NDM-4 beta-lactamase from Klebsiella pneumonia in complex with 1-hydroxypyridine-2(1H)-thione-6-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 1-hydroxy-6-sulfanylidene-1,6-dihydropyridine-2-carboxylic acid, Metallo-beta-lactamase type 2, ...
Authors:Thoden, J.B, Holden, H.M.
Deposit date:2023-04-20
Release date:2023-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Characterization of a novel inhibitor for the New Delhi metallo-beta-lactamase-4: Implications for drug design and combating bacterial drug resistance.
J.Biol.Chem., 299, 2023
8SKO
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BU of 8sko by Molmil
X-ray structure of the NDM-4 beta-lactamase from Klebsiella pneumonia with L-Captopril bound
Descriptor: L-CAPTOPRIL, Metallo-beta-lactamase type 2, ZINC ION
Authors:Thoden, J.B, Holden, H.M.
Deposit date:2023-04-20
Release date:2023-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Characterization of a novel inhibitor for the New Delhi metallo-beta-lactamase-4: Implications for drug design and combating bacterial drug resistance.
J.Biol.Chem., 299, 2023
8SK2
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BU of 8sk2 by Molmil
X-ray structure of the NDM-4 beta-lactamase from Klebsiella pneumonia, apo form
Descriptor: 1,2-ETHANEDIOL, Metallo-beta-lactamase type 2, ZINC ION
Authors:Thoden, J.B, Holden, H.M.
Deposit date:2023-04-18
Release date:2023-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Characterization of a novel inhibitor for the New Delhi metallo-beta-lactamase-4: Implications for drug design and combating bacterial drug resistance.
J.Biol.Chem., 299, 2023
1Z8M
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BU of 1z8m by Molmil
Solution structure of the conserved hypothtical protein HP0894 from Helicobacter pylori
Descriptor: conserved hypothetical protein HP0894
Authors:Han, K.D, Park, S.J, Jang, S.B, Lee, B.J.
Deposit date:2005-03-30
Release date:2005-11-01
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of conserved hypothetical protein HP0894 from Helicobacter pylori
Proteins, 61, 2005
4TT4
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BU of 4tt4 by Molmil
Crystal structure of ATAD2A bromodomain complexed with H3(1-21)K14Ac peptide
Descriptor: ATPase family AAA domain-containing protein 2, CHLORIDE ION, Histone H3(1-21)K4Ac, ...
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-19
Release date:2014-12-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015

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