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6MOL
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BU of 6mol by Molmil
Monoextended DARPin M_R12 complex with EpoR
Descriptor: Erythropoietin receptor, GLYCEROL, Monoextended DARPin R12 (M_R12)
Authors:Jude, K.M, Mohan, K, Garcia, K.C, Guo, Y.
Deposit date:2018-10-04
Release date:2019-06-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.163 Å)
Cite:Topological control of cytokine receptor signaling induces differential effects in hematopoiesis.
Science, 364, 2019
2OHX
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BU of 2ohx by Molmil
REFINED CRYSTAL STRUCTURE OF LIVER ALCOHOL DEHYDROGENASE-NADH COMPLEX AT 1.8 ANGSTROMS RESOLUTION
Descriptor: ALCOHOL DEHYDROGENASE, DIMETHYL SULFOXIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Al-Karadaghi, S, Cedergren-Zeppezauer, E.S.
Deposit date:1993-08-24
Release date:1993-10-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Refined crystal structure of liver alcohol dehydrogenase-NADH complex at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 50, 1994
6HF4
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BU of 6hf4 by Molmil
The structure of BoMan26B, a GH26 beta-mannanase from Bacteroides ovatus, complexed with G1M4
Descriptor: CALCIUM ION, CHLORIDE ION, Glycosyl hydrolase family 26, ...
Authors:Bagenholm, V, Logan, D.T, Stalbrand, H.
Deposit date:2018-08-21
Release date:2019-04-24
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.781 Å)
Cite:A surface-exposed GH26 beta-mannanase fromBacteroides ovatus: Structure, role, and phylogenetic analysis ofBoMan26B.
J.Biol.Chem., 294, 2019
7NC4
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BU of 7nc4 by Molmil
Crystal structure of human carbonic anhydrase VII (hCA VII) in complex with a 4-(4-aroylpiperazine-1-carbonyl)benzenesulfonamide derivative.
Descriptor: 4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 7, GLYCEROL, ...
Authors:Di Fiore, A, De Simone, G.
Deposit date:2021-01-28
Release date:2021-07-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design, synthesis and biochemical evaluation of novel carbonic anhydrase inhibitors triggered by structural knowledge on hCA VII.
Bioorg.Med.Chem., 44, 2021
1FP4
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BU of 1fp4 by Molmil
CRYSTAL STRUCTURE OF THE ALPHA-H195Q MUTANT OF NITROGENASE
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE-MO-S CLUSTER, ...
Authors:Sorlie, M, Christiansen, J, Lemon, B.J, Peters, J.W, Dean, D.R, Hales, B.J.
Deposit date:2000-08-30
Release date:2002-11-20
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanistic features and structure of the nitrogenase alpha-Gln195 MoFe protein
Biochemistry, 40, 2001
2X81
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BU of 2x81 by Molmil
STRUCTURE OF AURORA A IN COMPLEX WITH MLN8054
Descriptor: 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID, SERINE/THREONINE-PROTEIN KINASE 6
Authors:Savory, W, Mueller, I, Mason, C.S, Lamers, M, Williams, D.H, Eyers, P.A.
Deposit date:2010-03-05
Release date:2010-05-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Drug-Resistant Aurora a Mutants for Cellular Target Validation of the Small Molecule Kinase Inhibitors Mln8054 and Mln8237.
Acs Chem.Biol., 5, 2010
4D8T
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BU of 4d8t by Molmil
Crystal structure of D-Cysteine desulfhydrase from Salmonella typhimurium at 2.2 A resolution
Descriptor: BENZAMIDINE, CHLORIDE ION, D-cysteine desulfhydrase, ...
Authors:Bharath, S.R, Shveta, B, Rajesh, K.H, Savithri, H.S, Murthy, M.R.N.
Deposit date:2012-01-11
Release date:2012-05-30
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural and Mutational Studies on Substrate Specificity and Catalysis of Salmonella typhimurium D-Cysteine Desulfhydrase.
Plos One, 7, 2012
4D9F
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BU of 4d9f by Molmil
D-Cysteine desulfhydrase from Salmonella typhimurium complexed with D-cycloserine (DCS)
Descriptor: BENZAMIDINE, D-Cysteine desulfhydrase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE
Authors:Bharath, S.R, Shveta, B, Rajesh, K.H, Savithri, H.S, Murthy, M.R.N.
Deposit date:2012-01-11
Release date:2012-05-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural and Mutational Studies on Substrate Specificity and Catalysis of Salmonella typhimurium D-Cysteine Desulfhydrase.
Plos One, 7, 2012
7NTU
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BU of 7ntu by Molmil
X-ray structure of the complex between human alpha thrombin and two duplex/quadruplex aptamers: NU172 and HD22_27mer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, HD22_27mer, ...
Authors:Troisi, R, Santamaria, A, Sica, F.
Deposit date:2021-03-10
Release date:2021-04-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural and functional analysis of the simultaneous binding of two duplex/quadruplex aptamers to human alpha-thrombin.
Int.J.Biol.Macromol., 181, 2021
7W4R
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BU of 7w4r by Molmil
Structure of the M. tuberculosis HtrA N269A mutant at room-temperature
Descriptor: Probable serine protease HtrA1
Authors:Gupta, A.K, Gopal, B.
Deposit date:2021-11-29
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
7W4W
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BU of 7w4w by Molmil
Structure of the M. tuberculosis HtrA K436A mutant at room-temperature
Descriptor: Probable serine protease HtrA1
Authors:Gupta, A.K, Gopal, B.
Deposit date:2021-11-29
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
1JHK
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BU of 1jhk by Molmil
Crystal structure of the anti-estradiol antibody 57-2
Descriptor: Ig gamma-1-chain, Ig kappa-chain
Authors:Lamminmaki, U, Kankare, J.A.
Deposit date:2001-06-28
Release date:2001-10-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Crystal structure of a recombinant anti-estradiol Fab fragment in complex with 17beta -estradiol.
J.Biol.Chem., 276, 2001
7W4T
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BU of 7w4t by Molmil
Structure of the M. tuberculosis HtrA S367A mutant at room-temperature
Descriptor: Probable serine protease HtrA1
Authors:Gupta, A.K, Gopal, B.
Deposit date:2021-11-29
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
6H8P
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BU of 6h8p by Molmil
JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Histone H1.4(18-32)K26me3 peptide (15-mer)
Descriptor: CHLORIDE ION, GLYCEROL, Histone H1.4, ...
Authors:Chowdhury, R, Walport, L.J, Schofield, C.J.
Deposit date:2018-08-03
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.983 Å)
Cite:Mechanistic and structural studies of KDM-catalysed demethylation of histone 1 isotype 4 at lysine 26.
FEBS Lett., 592, 2018
8WZO
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BU of 8wzo by Molmil
Parkin in complex with phospho NEDD8
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase parkin, NEDD8, ...
Authors:Lenka, D.R, Kumar, A.
Deposit date:2023-11-02
Release date:2024-09-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Parkin in complex with phospho NEDD8
Structure
5L1F
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BU of 5l1f by Molmil
AMPA subtype ionotropic glutamate receptor GluA2 in complex with noncompetitive inhibitor Perampanel
Descriptor: 2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2
Authors:Yelshanskaya, M.V, Singh, A.K, Sampson, J.M, Sobolevsky, A.I.
Deposit date:2016-07-29
Release date:2016-10-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural Bases of Noncompetitive Inhibition of AMPA-Subtype Ionotropic Glutamate Receptors by Antiepileptic Drugs.
Neuron, 91, 2016
5L1E
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BU of 5l1e by Molmil
AMPA subtype ionotropic glutamate receptor GluA2 in complex with noncompetitive inhibitor CP465022
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(2-chlorophenyl)-2-(2-{6-[(diethylamino)methyl]pyridin-2-yl}ethyl)-6-fluoroquinazolin-4(3H)-one, Glutamate receptor 2
Authors:Yelshanskaya, M.V, Singh, A.K, Sampson, J.M, Sobolevsky, A.I.
Deposit date:2016-07-29
Release date:2016-10-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.37 Å)
Cite:Structural Bases of Noncompetitive Inhibition of AMPA-Subtype Ionotropic Glutamate Receptors by Antiepileptic Drugs.
Neuron, 91, 2016
4H5N
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BU of 4h5n by Molmil
HSC70 NBD with PO4, Na, Cl
Descriptor: CHLORIDE ION, GLYCEROL, Heat shock cognate 71 kDa protein, ...
Authors:Stec, B.
Deposit date:2012-09-18
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:New crystal structures of HSC-70 ATP binding domain confirm the role of individual binding pockets and suggest a new method of inhibition.
Biochimie, 108, 2015
6G4T
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BU of 6g4t by Molmil
The crystal structure of uninhibited C183S/C217S mutant of human CA VII
Descriptor: Carbonic anhydrase 7, ZINC ION
Authors:Di Fiore, A, D'Ambrosio, K, De Simone, G.
Deposit date:2018-03-28
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:The Crystal Structure of a hCA VII Variant Provides Insights into the Molecular Determinants Responsible for Its Catalytic Behavior.
Int J Mol Sci, 19, 2018
6NXQ
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BU of 6nxq by Molmil
Crystal structure of Arabidopsis thaliana cytosolic triosephosphate isomerase C13A mutant
Descriptor: SODIUM ION, Triosephosphate isomerase, cytosolic
Authors:Jimenez-Sandoval, P, Diaz-Quezada, C, Torres-Larios, A, Brieba, L.G.
Deposit date:2019-02-09
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural basis for the modulation of plant cytosolic triosephosphate isomerase activity by mimicry of redox-based modifications.
Plant J., 99, 2019
6NWC
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BU of 6nwc by Molmil
PYL10 bound to the ABA pan-agonist 3CB
Descriptor: 1-{[(4-cyano-3-cyclopropylphenyl)acetyl]amino}cyclohexane-1-carboxylic acid, Abscisic acid receptor PYL10
Authors:Peterson, F.C, Vaidya, A, Jensen, D.R, Volkman, B.F, Cutler, S.R.
Deposit date:2019-02-06
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Dynamic control of plant water use using designed ABA receptor agonists.
Science, 366, 2019
4H5W
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BU of 4h5w by Molmil
HSC70 NBD with betaine
Descriptor: ACETATE ION, Heat shock cognate 71 kDa protein, MAGNESIUM ION, ...
Authors:Stec, B.
Deposit date:2012-09-19
Release date:2014-03-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:New crystal structures of HSC-70 ATP binding domain confirm the role of individual binding pockets and suggest a new method of inhibition.
Biochimie, 108, 2015
1G0Y
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BU of 1g0y by Molmil
IL-1 RECEPTOR TYPE 1 COMPLEXED WITH ANTAGONIST PEPTIDE AF10847
Descriptor: ANTAGONIST PEPTIDE AF10847, INTERLEUKIN-1 RECEPTOR, TYPE I
Authors:Vigers, G.P.A, Dripps, D.J, Edwards, C.K, Brandhuber, B.J.
Deposit date:2000-10-09
Release date:2000-10-25
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray crystal structure of a small antagonist peptide bound to interleukin-1 receptor type 1.
J.Biol.Chem., 275, 2000
4UHR
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BU of 4uhr by Molmil
Thermostabilised HUMAN A2a Receptor with CGS21680 bound
Descriptor: 2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE, THERMOSTABILISED HUMAN A2A RECEPTOR
Authors:Lebon, G, Edwards, P.C, Leslie, A.G.W, Tate, C.G.
Deposit date:2015-03-25
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular Determinants of Cgs21680 Binding to the Human Adenosine A2A Receptor.
Mol.Pharmacol., 87, 2015
1CW4
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BU of 1cw4 by Molmil
CRYSTAL STRUCTURE OF K230M ISOCITRATE DEHYDROGENASE IN COMPLEX WITH ALPHA-KETOGLUTARATE
Descriptor: 2-OXOGLUTARIC ACID, ISOCITRATE DEHYDROGENASE, MANGANESE (II) ION, ...
Authors:Stroud, M.R, Finer-Moore, J.
Deposit date:1999-08-25
Release date:1999-09-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Active site water molecules revealed in the 2.1 A resolution structure of a site-directed mutant of isocitrate dehydrogenase.
J.Mol.Biol., 295, 2000

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