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5ND7
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BU of 5nd7 by Molmil
Microtubule-bound MKLP2 motor domain in the presence of AMPPNP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF20A, ...
Authors:Atherton, J, Yu, I.-M, Cook, A, Muretta, J.M, Joseph, A.P, Major, J, Sourigues, Y, Clause, J, Topf, M, Rosenfeld, S.S, Houdusse, A, Moores, C.A.
Deposit date:2017-03-07
Release date:2017-10-04
Method:ELECTRON MICROSCOPY (7.9 Å)
Cite:The divergent mitotic kinesin MKLP2 exhibits atypical structure and mechanochemistry.
Elife, 6, 2017
1Q4N
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BU of 1q4n by Molmil
Structural studies of Phe256Trp of human salivary alpha-amylase: implications for the role of a conserved water molecule and its associated chain in enzyme activity
Descriptor: Alpha-amylase, salivary, CALCIUM ION, ...
Authors:Ramasubbu, N.
Deposit date:2003-08-04
Release date:2004-03-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural studies of a Phe256Trp mutant of human salivary alpha-amylase: implications for the role of a conserved water molecule in enzyme activity
Arch.Biochem.Biophys., 421, 2004
4YBI
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BU of 4ybi by Molmil
Crystal structure of BACE with amino thiazine inhibitor LY2811376
Descriptor: (4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Beta-secretase 1, GLYCEROL
Authors:Timm, D.E.
Deposit date:2015-02-18
Release date:2015-04-01
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Robust central reduction of amyloid-beta in humans with an orally available, non-peptidic beta-secretase inhibitor.
J.Neurosci., 31, 2011
4WHH
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BU of 4whh by Molmil
A New Class of Peptidomimetics Targeting the Polo-box Domain of Polo-like kinase 1
Descriptor: C6H5(CH2)8-DERIVATIZED PEPTIDE INHIBITOR, SULFATE ION, Serine/threonine-protein kinase PLK1
Authors:Bang, J.K.
Deposit date:2014-09-22
Release date:2014-12-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A new class of peptidomimetics targeting the polo-box domain of polo-like kinase 1.
J.Med.Chem., 58, 2015
1N9E
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BU of 1n9e by Molmil
Crystal structure of Pichia pastoris Lysyl Oxidase PPLO
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Guss, J.M, Duff, A.P.
Deposit date:2002-11-24
Release date:2004-01-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The Crystal Structure of Pichia pastoris Lysyl Oxidase
Biochemistry, 42, 2003
1NJI
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BU of 1nji by Molmil
Structure of chloramphenicol bound to the 50S ribosomal subunit
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L10e, 50S ribosomal protein L13P, ...
Authors:Hansen, J.L, Moore, P.B, Steitz, T.A.
Deposit date:2002-12-31
Release date:2003-07-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of Five Antibiotics Bound at the Peptidyl Transferase Center of the Large Ribosomal Subunit
J.Mol.Biol., 330, 2003
1N9P
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BU of 1n9p by Molmil
Crystal Structure of the Cytoplasmic Domain of G-protein Activated Inward Rectifier Potassium Channel 1
Descriptor: G protein-activated inward rectifier potassium channel 1
Authors:Nishida, M, MacKinnon, R.
Deposit date:2002-11-26
Release date:2003-01-07
Last modified:2017-08-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of Inward Rectification: Cytoplasmic Pore of the G Protein-Gated Inward Rectifier GIRK1 at 1.8 A Resolution
Cell(Cambridge,Mass.), 111, 2002
1OVE
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BU of 1ove by Molmil
The structure of p38 alpha in complex with a dihydroquinolinone
Descriptor: 1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERIDIN-4-YL-3,4-DIHYDROQUINOLIN-2(1H)-ONE, GLYCEROL, Mitogen-activated protein kinase 14
Authors:Fitzgerald, C.E, Patel, S.B, Becker, J.W, Cameron, P.M, Zaller, D, Pikounis, V.B, O'Keefe, S.J, Scapin, G.
Deposit date:2003-03-26
Release date:2003-09-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity
Nat.Struct.Biol., 10, 2003
1OY7
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BU of 1oy7 by Molmil
Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of Apoptosis (ML-IAP)
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, AEVVAVKSE peptide, Baculoviral IAP repeat-containing protein 7, ...
Authors:Franklin, M.C, Kadkhodayan, S, Ackerly, H, Alexandru, D, Distefano, M.D, Elliott, L.O, Flygare, J.A, Vucic, D, Deshayes, K, Fairbrother, W.J.
Deposit date:2003-04-03
Release date:2003-08-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of Apoptosis (ML-IAP)
Biochemistry, 42, 2003
1OUK
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BU of 1ouk by Molmil
The structure of p38 alpha in complex with a pyridinylimidazole inhibitor
Descriptor: 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-1H-IMIDAZOL-2-YL]-PIPERIDINE, Mitogen-activated protein kinase 14, SULFATE ION
Authors:Fitzgerald, C.E, Patel, S.B, Becker, J.W, Cameron, P.M, Zaller, D, Pikounis, V.B, O'Keefe, S.J, Scapin, G.
Deposit date:2003-03-24
Release date:2003-09-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity
Nat.Struct.Biol., 10, 2003
1OUY
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The structure of p38 alpha in complex with a dihydropyrido-pyrimidine inhibitor
Descriptor: 1-(2,6-DICHLOROPHENYL)-6-[(2,4-DIFLUOROPHENYL)SULFANYL]-7-(1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-3,4-DIHYDROPYRIDO[3,2-D]PYRIMIDIN-2(1H)-ONE, Mitogen-activated protein kinase 14
Authors:Fitzgerald, C.E, Patel, S.B, Becker, J.W, Cameron, P.M, Zaller, D, Pikounis, V.B, O'Keefe, S.J, Scapin, G.
Deposit date:2003-03-25
Release date:2003-09-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity
Nat.Struct.Biol., 10, 2003
4WK8
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BU of 4wk8 by Molmil
FOXP3 forms a domain-swapped dimer to bridge DNA
Descriptor: DNA (5'-D(*AP*AP*CP*TP*AP*TP*GP*AP*AP*AP*CP*AP*AP*AP*TP*TP*TP*TP*CP*CP*T)-3'), DNA (5'-D(*TP*TP*AP*GP*GP*AP*AP*AP*AP*TP*TP*TP*GP*TP*TP*TP*CP*AP*TP*AP*G)-3'), Forkhead box protein P3
Authors:Chen, Y, Chen, L.
Deposit date:2014-10-01
Release date:2015-01-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.4006 Å)
Cite:DNA binding by FOXP3 domain-swapped dimer suggests mechanisms of long-range chromosomal interactions.
Nucleic Acids Res., 43, 2015
5M54
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BU of 5m54 by Molmil
Mechanism of microtubule minus-end recognition and protection by CAMSAP proteins
Descriptor: Calmodulin-regulated spectrin-associated protein 1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Akhmanova, A, Moores, C.A, Baldus, M, Steinmetz, M.O, Topf, M, Roberts, A.J, Grant, B.J, Scarabelli, G, Joseph, A.-J, van Hooff, J.J.E, Houben, K, Hua, S, Luo, Y, Stangier, M.M, Jiang, K, Atherton, J.
Deposit date:2016-10-20
Release date:2017-10-04
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (8 Å)
Cite:A structural model for microtubule minus-end recognition and protection by CAMSAP proteins.
Nat. Struct. Mol. Biol., 24, 2017
1NVO
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BU of 1nvo by Molmil
Solution structure of a four-helix bundle model, apo-DF1
Descriptor: Homodimeric Alpha2 Four-Helix Bundle
Authors:Maglio, O, Nastri, F, Pavone, V, Lombardi, A, DeGrado, W.F.
Deposit date:2003-02-04
Release date:2003-03-25
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Preorganization of molecular binding sites in designed diiron proteins
Proc.Natl.Acad.Sci.USA, 100, 2003
5ND4
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BU of 5nd4 by Molmil
Microtubule-bound MKLP2 motor domain in the presence of ADP.AlFx
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Atherton, J, Yu, I.-M, Cook, A, Muretta, J.M, Joseph, A.P, Major, J, Sourigues, Y, Clause, J, Topf, M, Rosenfeld, S.S, Houdusse, A, Moores, C.A.
Deposit date:2017-03-07
Release date:2017-10-04
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:The divergent mitotic kinesin MKLP2 exhibits atypical structure and mechanochemistry.
Elife, 6, 2017
4Z7Q
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BU of 4z7q by Molmil
Integrin alphaIIbbeta3 in complex with AGDV-NH2 peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Lin, F.-Y, Zhu, J, Springer, T.A.
Deposit date:2015-04-07
Release date:2015-12-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:beta-Subunit Binding Is Sufficient for Ligands to Open the Integrin alpha IIb beta 3 Headpiece.
J.Biol.Chem., 291, 2016
5ND2
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BU of 5nd2 by Molmil
Microtubule-bound MKLP2 motor domain in the presence of ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Atherton, J, Yu, I.M, Cook, A, Muretta, J.M, Joseph, A.P, Major, J, Sourigues, Y, Clause, J, Topf, M, Rosenfeld, S.S, Houdusse, A, Moores, C.A.
Deposit date:2017-03-07
Release date:2017-10-04
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:The divergent mitotic kinesin MKLP2 exhibits atypical structure and mechanochemistry.
Elife, 6, 2017
1QE6
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BU of 1qe6 by Molmil
INTERLEUKIN-8 WITH AN ADDED DISULFIDE BETWEEN RESIDUES 5 AND 33 (L5C/H33C)
Descriptor: INTERLEUKIN-8 VARIANT, SULFATE ION
Authors:Gerber, N, Lowman, H, Artis, D.R, Eigenbrot, C.
Deposit date:1999-07-13
Release date:2000-03-22
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Receptor-binding conformation of the "ELR" motif of IL-8: X-ray structure of the L5C/H33C variant at 2.35 A resolution.
Proteins, 38, 2000
4X0K
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BU of 4x0k by Molmil
Engineered Fab fragment specific for EYMPME (EE) peptide
Descriptor: Fab fragment heavy chain, Fab fragment light chain
Authors:Johnson, J.L, Lieberman, R.L.
Deposit date:2014-11-21
Release date:2015-04-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural and biophysical characterization of an epitope-specific engineered Fab fragment and complexation with membrane proteins: implications for co-crystallization.
Acta Crystallogr.,Sect.D, 71, 2015
4WZ8
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BU of 4wz8 by Molmil
Crystal structure of human-yeast chimera acetyl coA carboxylase CT domain bound to Compound 6
Descriptor: 1'-(2H-indazol-5-ylcarbonyl)-1-(propan-2-yl)-1,4-dihydrospiro[indazole-5,4'-piperidin]-7(6H)-one, Acetyl-CoA carboxylase
Authors:Vajdos, F.F.
Deposit date:2014-11-18
Release date:2014-12-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Decreasing the Rate of Metabolic Ketone Reduction in the Discovery of a Clinical Acetyl-CoA Carboxylase Inhibitor for the Treatment of Diabetes.
J.Med.Chem., 57, 2014
4ZNB
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BU of 4znb by Molmil
METALLO-BETA-LACTAMASE (C181S MUTANT)
Descriptor: METALLO-BETA-LACTAMASE, SODIUM ION, ZINC ION
Authors:Li, Z, Herzberg, O.
Deposit date:1998-10-20
Release date:1999-06-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural consequences of the active site substitution Cys181 --> Ser in metallo-beta-lactamase from Bacteroides fragilis.
Protein Sci., 8, 1999
4WZ6
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BU of 4wz6 by Molmil
Human CFTR aa389-678 (NBD1), deltaF508 with three solubilizing mutations, bound ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Byrnes, L.J, Hall, J.
Deposit date:2014-11-18
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Binding screen for cystic fibrosis transmembrane conductance regulator correctors finds new chemical matter and yields insights into cystic fibrosis therapeutic strategy.
Protein Sci., 25, 2016
1N0A
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BU of 1n0a by Molmil
Turn stability in beta-hairpin peptides: 3:5 type I G1 bulge turns
Descriptor: bhpw_pdg, beta-hairpin peptide
Authors:Blandl, T, Cochran, A.G, Skelton, N.J.
Deposit date:2002-10-11
Release date:2003-10-21
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Turn stability in beta-hairpin peptides: Investigation of peptides containing 3:5 type I G1 bulge turns
PROTEIN SCI., 12, 2003
5ND3
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BU of 5nd3 by Molmil
Microtubule-bound MKLP2 motor domain in the with no nucleotide
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF20A, ...
Authors:Atherton, J, Yu, I.M, Cook, A, Muretta, J.M, Joseph, A.P, Major, J, Sourigues, Y, Clause, J, Topf, M, Rosenfeld, S.S, Houdusse, A, Moores, C.A.
Deposit date:2017-03-07
Release date:2017-10-04
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:The divergent mitotic kinesin MKLP2 exhibits atypical structure and mechanochemistry.
Elife, 6, 2017
4Y7N
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BU of 4y7n by Molmil
The Structure Insight into 5-Carboxycytosine Recognition by RNA Polymerase II during Transcription Elongation.
Descriptor: DNA (29-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
Authors:Wang, L, Chong, J, Wang, D.
Deposit date:2015-02-15
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Molecular basis for 5-carboxycytosine recognition by RNA polymerase II elongation complex.
Nature, 523, 2015

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