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3SBL
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BU of 3sbl by Molmil
Crystal Structure of New Delhi Metal-beta-lactamase-1 from Klebsiella pneumoniae
Descriptor: Beta-lactamase NDM-1, CITRIC ACID
Authors:Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Binkowski, T.A, Mire, J, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Deposit date:2011-06-05
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structure of Apo- and Monometalated Forms of NDM-1 A Highly Potent Carbapenem-Hydrolyzing Metallo-beta-Lactamase
Plos One, 6, 2011
3DAM
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BU of 3dam by Molmil
Crystal Structure of Allene oxide synthase
Descriptor: Cytochrome P450 74A2, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, L, Wang, X.
Deposit date:2008-05-29
Release date:2008-09-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Modes of heme binding and substrate access for cytochrome P450 CYP74A revealed by crystal structures of allene oxide synthase.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3ZHW
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BU of 3zhw by Molmil
X-ray Crystallographic Structural Characteristics of Arabidopsis Hemoglobin I and their Functional Implications
Descriptor: NON-SYMBIOTIC HEMOGLOBIN 1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Mukhi, N, Dhindwal, S, Uppal, S, Kumar, P, Kaur, J, Kundu, S.
Deposit date:2012-12-30
Release date:2013-03-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:X-Ray Crystallographic Structural Characteristics of Arabidopsis Hemoglobin I and Their Functional Implications
Biochim.Biophys.Acta, 1834, 2013
3DKF
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BU of 3dkf by Molmil
Structure of MET receptor tyrosine kinase in complex with inhibitor SGX-523
Descriptor: 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline, CHLORIDE ION, Hepatocyte growth factor receptor
Authors:Hendle, J.
Deposit date:2008-06-24
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:SGX523 is an exquisitely selective, ATP-competitive inhibitor of the MET receptor tyrosine kinase with antitumor activity in vivo.
Mol.Cancer Ther., 8, 2009
3DD8
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BU of 3dd8 by Molmil
Carbonic anhydrase inhibitors. Interaction of the antitumor sulfamate EMD-486019 with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies
Descriptor: 2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate, Carbonic anhydrase 2, MERCURY (II) ION, ...
Authors:Temperini, C, Innocenti, A, Scozzafava, A, Supuran, C.T.
Deposit date:2008-06-05
Release date:2008-08-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Carbonic anhydrase inhibitors. Interaction of the antitumor sulfamate EMD 486019 with twelve mammalian carbonic anhydrase isoforms: Kinetic and X-ray crystallographic studies
Bioorg.Med.Chem.Lett., 18, 2008
3SEQ
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BU of 3seq by Molmil
Crystal structure of C176A mutant of glutamine-dependent NAD+ synthetase from M. tuberculosis in complex with AMPCPP and NaAD+
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, GLYCEROL, Glutamine-dependent NAD(+) synthetase, ...
Authors:Chuenchor, W, Gerratana, B.
Deposit date:2011-06-10
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7342 Å)
Cite:Regulation of the intersubunit ammonia tunnel in Mycobacterium tuberculosis glutamine-dependent NAD+ synthetase.
Biochem.J., 443, 2012
3DDS
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BU of 3dds by Molmil
Crystal structure of glycogen phosphorylase complexed with an anthranilimide based inhibitor GSK261
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CAFFEINE, ...
Authors:Nolte, R.T.
Deposit date:2008-06-06
Release date:2009-01-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Anthranilimide based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. Part 3: X-ray crystallographic characterization, core and urea optimization and in vivo efficacy.
Bioorg.Med.Chem.Lett., 19, 2009
2PHM
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BU of 2phm by Molmil
STRUCTURE OF PHENYLALANINE HYDROXYLASE DEPHOSPHORYLATED
Descriptor: FE (III) ION, PROTEIN (PHENYLALANINE-4-HYDROXYLASE)
Authors:Kobe, B, Jennings, I.G, House, C.M, Michell, B.J, Cotton, R.G, Kemp, B.E.
Deposit date:1998-11-11
Release date:1999-04-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of autoregulation of phenylalanine hydroxylase.
Nat.Struct.Biol., 6, 1999
5U2T
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BU of 5u2t by Molmil
Pre-catalytic ternary complex of Human DNA Polymerase Beta With Gapped DNA substrate incoming (-)FTC-TP and Ca2+.
Descriptor: 10- MER PRIMER, 16- MER TEMPLATE, 5-MER PHOSPHORYLATED DOWNSTREAM PRIMER, ...
Authors:Vyas, R, Suo, Z.
Deposit date:2016-11-30
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural basis for the D-stereoselectivity of human DNA polymerase beta.
Nucleic Acids Res., 45, 2017
3SIK
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BU of 3sik by Molmil
Crystal structure of the Bacillus anthracis hemophore IsdX1 complexed with heme
Descriptor: Conserved domain protein, PROTOPORPHYRIN IX CONTAINING FE
Authors:Owens, C.P, Goulding, C.W.
Deposit date:2011-06-19
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.149 Å)
Cite:Differential function of lip residues in the mechanism and biology of an anthrax hemophore.
Plos Pathog., 8, 2012
4EGV
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BU of 4egv by Molmil
Crystal structure of a monomeric SCP2-thiolase like protein type 1 (STLP1) from Mycobacterium smegmatis
Descriptor: Acetyl-CoA acetyltransferase
Authors:Janardan, N, Harijan, R.K, Wierenga, R.K, Murthy, M.R.N.
Deposit date:2012-04-01
Release date:2012-09-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Crystal Structure of a Monomeric Thiolase-Like Protein Type 1 (TLP1) from Mycobacterium smegmatis.
Plos One, 7, 2012
5U3R
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BU of 5u3r by Molmil
Human PPARdelta ligand-binding domain in complexed with specific agonist 2
Descriptor: 6-[2-({[4-(furan-2-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid, DI(HYDROXYETHYL)ETHER, Peroxisome proliferator-activated receptor delta, ...
Authors:Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P.
Deposit date:2016-12-03
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5U43
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BU of 5u43 by Molmil
Human PPARdelta ligand-binding domain in complexed with specific agonist 12
Descriptor: 6-(2-{[cyclopropyl(4'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid, DI(HYDROXYETHYL)ETHER, Peroxisome proliferator-activated receptor delta, ...
Authors:Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P.
Deposit date:2016-12-03
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3DPE
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BU of 3dpe by Molmil
Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor
Descriptor: CALCIUM ION, N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide, Neutrophil collagenase, ...
Authors:Pochetti, G, Montanari, R, Mazza, F.
Deposit date:2008-07-08
Release date:2009-03-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8)
J.Med.Chem., 52, 2009
4EDM
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BU of 4edm by Molmil
Crystal structure of beta-parvin CH2 domain
Descriptor: 1,2-ETHANEDIOL, Beta-parvin
Authors:Stiegler, A.L, Draheim, K.M, Li, X, Chayen, N.E, Calderwood, D.A, Boggon, T.J.
Deposit date:2012-03-27
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for paxillin binding and focal adhesion targeting of beta-parvin.
J.Biol.Chem., 287, 2012
2PUT
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BU of 2put by Molmil
The crystal structure of isomerase domain of glucosamine-6-phosphate synthase from Candida albicans
Descriptor: ACETATE ION, FRUCTOSE -6-PHOSPHATE, SODIUM ION, ...
Authors:Raczynska, J, Olchowy, J, Milewski, S, Rypniewski, W.
Deposit date:2007-05-09
Release date:2007-09-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Crystal and Solution Studies of Glucosamine-6-phosphate Synthase from Candida albicans
J.Mol.Biol., 372, 2007
5U6Y
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BU of 5u6y by Molmil
Pseudo-atomic model of the CaMKIIa holoenzyme.
Descriptor: Calcium/calmodulin-dependent protein kinase type II subunit alpha
Authors:Myers, J, Reichow, S.L.
Deposit date:2016-12-09
Release date:2017-06-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (20 Å)
Cite:The CaMKII holoenzyme structure in activation-competent conformations.
Nat Commun, 8, 2017
1QGF
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BU of 1qgf by Molmil
PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3R, 4S)N-PARA-TOLUENESULPHONYL-3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE
Descriptor: (2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ...
Authors:Wilmouth, R.C, Kassamally, S, Westwood, N.J, Sheppard, R.J, Claridge, T.D.W, Wright, P.A, Pritchard, G.J, Schofield, C.J.
Deposit date:1999-04-27
Release date:1999-12-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanistic insights into the inhibition of serine proteases by monocyclic lactams.
Biochemistry, 38, 1999
3ZIT
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BU of 3zit by Molmil
Crystal structure of the thioredoxin-like protein BC3987 mutant T8A
Descriptor: THIOREDOXIN
Authors:Rohr, A.K, Hammerstad, M, Andersson, K.K.
Deposit date:2013-01-10
Release date:2013-01-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Tuning of Thioredoxin Redox Properties by Intramolecular Hydrogen Bonds.
Plos One, 8, 2013
3U9Z
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BU of 3u9z by Molmil
Crystal structure between actin and a protein construct containing the first beta-thymosin domain of drosophila ciboulot (residues 2-58) with the three mutations N26D/Q27K/D28S
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Renault, L, Husson, C, Carlier, M.F, Didry, D.
Deposit date:2011-10-20
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:How a single residue in individual beta-thymosin/WH2 domains controls their functions in actin assembly
Embo J., 31, 2012
3DRG
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BU of 3drg by Molmil
Lactococcal OppA complexed with bradykinin in the closed conformation
Descriptor: Bradykinin, CHLORIDE ION, Oligopeptide-binding protein oppA
Authors:Berntsson, R.P.-A, Doeven, M.K, Duurkens, R.H, Sengupta, D, Marrink, S.-J, Thunnissen, A.-M, Poolman, B, Slotboom, D.-J.
Deposit date:2008-07-11
Release date:2009-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structural basis for peptide selection by the transport receptor OppA
Embo J., 28, 2009
5TQJ
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BU of 5tqj by Molmil
Crystal structure of response regulator receiver protein from Burkholderia phymatum
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Response regulator receiver protein
Authors:Edwards, T.E, Dranow, D.M, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-10-24
Release date:2016-11-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of response regulator receiver protein from Burkholderia phymatum
To Be Published
3UAC
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BU of 3uac by Molmil
Multicopper Oxidase CueO mutant C500SE506Q (data4)
Descriptor: ACETATE ION, Blue copper oxidase CueO, COPPER (II) ION, ...
Authors:Komori, H, Kataoka, K, Sakurai, T, Higuchi, Y.
Deposit date:2011-10-21
Release date:2012-04-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:An O-centered structure of the trinuclear copper center in the Cys500Ser/Glu506Gln mutant of CueO and structural changes in low to high X-ray dose conditions.
Angew.Chem.Int.Ed.Engl., 51, 2012
2PWN
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BU of 2pwn by Molmil
Crystal structure of BET3 homolog (13277653) from Mus musculus at 2.04 A resolution
Descriptor: MYRISTIC ACID, Trafficking protein particle complex subunit 3
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-05-11
Release date:2007-05-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Crystal structure of BET3 homolog (13277653) from Mus musculus at 2.04 A resolution
To be published
4EKR
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BU of 4ekr by Molmil
T4 Lysozyme L99A/M102H with 2-Cyanophenol Bound
Descriptor: 2-HYDROXYETHYL DISULFIDE, 2-hydroxybenzonitrile, ACETATE ION, ...
Authors:Merski, M, Shoichet, B.K.
Deposit date:2012-04-09
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Engineering a model protein cavity to catalyze the Kemp elimination.
Proc.Natl.Acad.Sci.USA, 109, 2012

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