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5HRR
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BU of 5hrr by Molmil
HIV Integrase Catalytic Domain containing F185K + A124N + T125S mutations complexed with GSK0002
Descriptor: (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ...
Authors:Nolte, R.T.
Deposit date:2016-01-24
Release date:2016-12-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
5HRP
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BU of 5hrp by Molmil
HIV Integrase Catalytic Domain containing F185K + A124T mutations complexed with GSK0002
Descriptor: (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ...
Authors:Nolte, R.T.
Deposit date:2016-01-24
Release date:2016-12-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
2WCC
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BU of 2wcc by Molmil
phage lambda IntDBD1-64 complex with p prime 2 DNA
Descriptor: DNA (5'-D(*DCP*DGP*DAP*DGP*DTP*DCP*DAP *DAP*DAP*DAP*DTP*DC)-3'), DNA (5'-D(*DGP*DAP*DTP*DTP*DTP*DTP*DGP *DAP*DCP*DTP*DGP*DC)-3'), INTEGRASE
Authors:Fadeev, E.A, Sam, M.D, Clubb, R.T.
Deposit date:2009-03-11
Release date:2009-04-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR Structure of the Amino-Terminal Domain of the Lambda Integrase Protein in Complex with DNA: Immobilization of a Flexible Tail Facilitates Beta- Sheet Recognition of the Major Groove.
J.Mol.Biol., 388, 2009
5HRS
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BU of 5hrs by Molmil
HIV Integrase Catalytic Domain containing F185K + A124N + T125A mutations complexed with GSK0002
Descriptor: (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ...
Authors:Nolte, R.T.
Deposit date:2016-01-24
Release date:2016-12-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
5HRN
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BU of 5hrn by Molmil
HIV Integrase Catalytic Domain containing F185K mutation complexed with GSK0002
Descriptor: (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ...
Authors:Nolte, R.T.
Deposit date:2016-01-23
Release date:2016-12-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
5I78
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BU of 5i78 by Molmil
Crystal structure of a beta-1,4-endoglucanase from Aspergillus niger
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Endo-beta-1, ...
Authors:Liu, W.D, Yan, J.J, Li, Y.J, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2016-02-17
Release date:2016-12-21
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase
Biochem. Biophys. Res. Commun., 475, 2016
2VH3
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BU of 2vh3 by Molmil
ranasmurfin
Descriptor: GLYCEROL, RANASMURFIN, SULFATE ION, ...
Authors:Oke, M, Ching, R.T, Carter, L.G, Johnson, K.A, Liu, H, McMahon, S.A, Bloch Junior, C, Botting, C.H, Walsh, M.A, Latiff, A.A, Kennedy, M.W, Cooper, A, Naismith, J.H.
Deposit date:2007-11-17
Release date:2007-12-04
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Unusual Chromophore and Cross-Links in Ranasmurfin: A Blue Protein from the Foam Nests of a Tropical Frog.
Angew.Chem.Int.Ed.Engl., 47, 2008
2W4H
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BU of 2w4h by Molmil
Isometrically contracting insect asynchronous flight muscle quick frozen after a quick release step
Descriptor: MYOSIN HEAVY CHAIN, SKELETAL MUSCLE, ADULT, ...
Authors:Wu, S, Liu, J, Reedy, M.C, Tregear, R.T, Winkler, H, Franzini-Armstrong, C, Sasaki, H, Lucaveche, C, Goldman, Y.E, Reedy, M.K, Taylor, K.A.
Deposit date:2008-11-25
Release date:2010-08-25
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (35 Å)
Cite:Structural Changes in Isometrically Contracting Insect Flight Muscle Trapped Following a Mechanical Perturbation.
Plos One, 7, 2012
4R0D
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BU of 4r0d by Molmil
Crystal structure of a eukaryotic group II intron lariat
Descriptor: GROUP IIB INTRON LARIAT, IRIDIUM HEXAMMINE ION, LIGATED EXONS, ...
Authors:Robart, A.R, Chan, R.T, Peters, J.K, Rajashankar, K.R, Toor, N.
Deposit date:2014-07-30
Release date:2014-10-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.676 Å)
Cite:Crystal structure of a eukaryotic group II intron lariat.
Nature, 514, 2014
2XOI
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BU of 2xoi by Molmil
Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A
Descriptor: (2S,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-N-[[(2S,3S,4R,5R)-5-(2,4-DIOXOPYRIMIDIN-1-YL)-4-HYDROXY-2-(HYDROXYMETHYL)OXOLAN-3-YL]METHYLSULFONYL]-3,4-DIHYDROXY-OXOLANE-2-CARBOXAMIDE, RIBONUCLEASE PANCREATIC
Authors:Thiyagarajan, N, Smith, B.D, Raines, R.T, Acharya, K.R.
Deposit date:2010-08-17
Release date:2011-01-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A.
FEBS J., 278, 2011
2XNZ
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BU of 2xnz by Molmil
xpt-pbuX C74U Riboswitch from B. subtilis bound to acetoguanamine identified by virtual screening
Descriptor: 6-METHYL-1,3,5-TRIAZINE-2,4-DIAMINE, ACETATE ION, COBALT HEXAMMINE(III), ...
Authors:Daldrop, P, Reyes, F.E, Robinson, D.A, Hammond, C.M, Lilley, D.M.J, Batey, R.T, Brenk, R.
Deposit date:2010-08-06
Release date:2011-04-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Novel ligands for a purine riboswitch discovered by RNA-ligand docking.
Chem. Biol., 18, 2011
2XOG
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BU of 2xog by Molmil
Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A
Descriptor: (2S,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-N-[[(2S,3S,4R,5R)-5-(2,4-DIOXOPYRIMIDIN-1-YL)-4-HYDROXY-2-(HYDROXYMETHYL)OXOLAN-3-YL]METHYLSULFONYL]-3,4-DIHYDROXY-OXOLANE-2-CARBOXAMIDE, RIBONUCLEASE PANCREATIC
Authors:Thiyagarajan, N, Smith, B.D, Raines, R.T, Acharya, K.R.
Deposit date:2010-08-16
Release date:2011-01-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A.
FEBS J., 278, 2011
5I77
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BU of 5i77 by Molmil
Crystal structure of a beta-1,4-endoglucanase from Aspergillus niger
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, Y.J, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2016-02-17
Release date:2016-12-21
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase
Biochem. Biophys. Res. Commun., 475, 2016
2W4V
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BU of 2w4v by Molmil
Isometrically contracting insect asynchronous flight muscle quick frozen after a quick release step
Descriptor: MYOSIN ESSENTIAL LIGHT CHAIN, STRIATED ADDUCTOR MUSCLE, MYOSIN HEAVY CHAIN, ...
Authors:Wu, S, Liu, J, Reedy, M.C, Tregear, R.T, Winkler, H, Franzini-Armstrong, C, Sasaki, H, Lucaveche, C, Goldman, Y.E, Reedy, M.K, Taylor, K.A.
Deposit date:2008-12-02
Release date:2010-09-15
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (35 Å)
Cite:Structural Changes in Isometrically Contracting Insect Flight Muscle Trapped Following a Mechanical Perturbation.
Plos One, 7, 2012
2W49
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BU of 2w49 by Molmil
ISOMETRICALLY CONTRACTING INSECT ASYNCHRONOUS FLIGHT MUSCLE
Descriptor: ACTIN, ALPHA SKELETAL MUSCLE, CALCIUM ION, ...
Authors:Wu, S, Liu, J, Reedy, M.C, Tregear, R.T, Winkler, H, Franzini-Armstrong, C, Sasaki, H, Lucaveche, C, Goldman, Y.E, Reedy, M.K, Taylor, K.A.
Deposit date:2008-11-24
Release date:2010-05-05
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (35 Å)
Cite:Electron Tomography of Cryofixed, Isometrically Contracting Insect Flight Muscle Reveals Novel Actin-Myosin Interactions
Plos One, 5, 2010
4O8J
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BU of 4o8j by Molmil
Crystal structure of RtcA, the RNA 3'-terminal phosphate cyclase from Pyrococcus horikoshii, in complex with rACAAA3'phosphate and adenine.
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE, RNA, ...
Authors:Desai, K.K, Bingman, C.A, Phillips Jr, G.N, Raines, R.T.
Deposit date:2013-12-27
Release date:2014-09-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structure of RNA 3'-phosphate cyclase bound to substrate RNA.
Rna, 20, 2014
5I79
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BU of 5i79 by Molmil
Crystal structure of a beta-1,4-endoglucanase mutant from Aspergillus niger in complex with sugar
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Endo-beta-1, ...
Authors:Liu, W.D, Yan, J.J, Li, Y.J, Zheng, Y.Y, Chen, C.C, Guo, R.T.
Deposit date:2016-02-17
Release date:2016-12-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase
Biochem. Biophys. Res. Commun., 475, 2016
2W4U
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BU of 2w4u by Molmil
Isometrically contracting insect asynchronous flight muscle quick frozen after a length step
Descriptor: ACTIN, ALPHA SKELETAL MUSCLE, TROPOMYOSIN ALPHA-1 CHAIN, ...
Authors:Wu, S, Liu, J, Reedy, M.C, Tregear, R.T, Winkler, H, Franzini-Armstrong, C, Sasaki, H, Lucaveche, C, Goldman, Y.E, Reedy, M.K, Taylor, K.A.
Deposit date:2008-12-02
Release date:2010-08-25
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (35 Å)
Cite:Structural Changes in Isometrically Contracting Insect Flight Muscle Trapped Following a Mechanical Perturbation.
Plos One, 7, 2012
4PEQ
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BU of 4peq by Molmil
Structure of bovine ribonuclease inhibitor complexed with bovine ribonuclease I
Descriptor: Ribonuclease pancreatic, Ribonuclease/angiogenin inhibitor 1
Authors:Bianchetti, C.M, Lomax, J.E, Raines, R.T, Fox, B.G.
Deposit date:2014-04-24
Release date:2014-06-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.211 Å)
Cite:Functional evolution of ribonuclease inhibitor: insights from birds and reptiles.
J.Mol.Biol., 426, 2014
2XBA
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BU of 2xba by Molmil
Structure of Human Anaplastic Lymphoma Kinase in complex with PHA- E429
Descriptor: 5-[(2R)-2-hydroxy-2-phenylacetyl]-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium, ALK TYROSINE KINASE RECEPTOR
Authors:Bossi, R.T, Saccardo, M.B, Ardini, E, Menichincheri, M, Rusconi, L, Magnaghi, P, Orsini, P, Fogliatto, G, Bertrand, J.A.
Deposit date:2010-04-08
Release date:2010-07-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structures of Anaplastic Lymphoma Kinase in Complex with ATP Competitive Inhibitors.
Biochemistry, 49, 2010
2XO1
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BU of 2xo1 by Molmil
xpt-pbuX C74U Riboswitch from B. subtilis bound to N6-methyladenine
Descriptor: ACETATE ION, COBALT HEXAMMINE(III), Guanine riboswitch, ...
Authors:Daldrop, P, Reyes, F.E, Robinson, D.A, Hammond, C.M, Lilley, D.M.J, Batey, R.T, Brenk, R.
Deposit date:2010-08-09
Release date:2011-04-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Novel ligands for a purine riboswitch discovered by RNA-ligand docking.
Chem. Biol., 18, 2011
2W4W
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BU of 2w4w by Molmil
Isometrically contracting insect asynchronous flight muscle quick frozen after a quick stretch step
Descriptor: MYOSIN ESSENTIAL LIGHT CHAIN, STRIATED ADDUCTOR MUSCLE, MYOSIN HEAVY CHAIN, ...
Authors:Wu, S, Liu, J, Reedy, M.C, Tregear, R.T, Winkler, H, Franzini-Armstrong, C, Sasaki, H, Lucaveche, C, Goldman, Y.E, Reedy, M.K, Taylor, K.A.
Deposit date:2008-12-02
Release date:2010-08-25
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (35 Å)
Cite:Structural Changes in Isometrically Contracting Insect Flight Muscle Trapped Following a Mechanical Perturbation.
Plos One, 7, 2012
4RSD
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BU of 4rsd by Molmil
STRUCTURE OF THE D121A VARIANT OF RIBONUCLEASE A
Descriptor: ACETATE ION, CHLORIDE ION, RIBONUCLEASE A
Authors:Schultz, L.W, Quirk, D.J, Raines, R.T.
Deposit date:1998-02-05
Release date:1998-07-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:His...Asp catalytic dyad of ribonuclease A: structure and function of the wild-type, D121N, and D121A enzymes.
Biochemistry, 37, 1998
4RSK
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BU of 4rsk by Molmil
STRUCTURE OF THE K7A/R10A/K66A VARIANT OF RIBONUCLEASE A COMPLEXED WITH 3'-UMP
Descriptor: 3'-URIDINEMONOPHOSPHATE, RIBONUCLEASE A
Authors:Schultz, L.W, Fisher, B.M, Raines, R.T.
Deposit date:1998-04-09
Release date:1998-12-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Coulombic Effects of Remote Subsites on the Active Site of Ribonuclease A
Biochemistry, 37, 1998
4NEU
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BU of 4neu by Molmil
X-ray structure of Receptor Interacting Protein 1 (RIP1)kinase domain with a 1-aminoisoquinoline inhibitor
Descriptor: 1-[4-(1-aminoisoquinolin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea, MAGNESIUM ION, Receptor-interacting serine/threonine-protein kinase 1
Authors:Nolte, R.T, Ward, P, kahler, K.M, Campobasso, N.
Deposit date:2013-10-30
Release date:2013-11-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Discovery of Small Molecule RIP1 Kinase Inhibitors for the Treatment of Pathologies Associated with Necroptosis.
ACS Med Chem Lett, 4, 2013

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