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2HBE
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BU of 2hbe by Molmil
HIGH RESOLUTION X-RAY STRUCTURES OF MYOGLOBIN-AND HEMOGLOBIN-ALKYL ISOCYANIDE COMPLEXES
Descriptor: HEMOGLOBIN A (N-BUTYL ISOCYANIDE) (ALPHA CHAIN), HEMOGLOBIN A (N-BUTYL ISOCYANIDE) (BETA CHAIN), N-BUTYL ISOCYANIDE, ...
Authors:Johnson, K.A, Olson, J.S, Phillips Jr, G.N.
Deposit date:1994-08-31
Release date:1995-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:High Resolution X-Ray Structures of Myoglobin-and Hemoglobin-Alkyl Isocyanide Complexes
Thesis, 1, 1993
2HBC
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BU of 2hbc by Molmil
HIGH RESOLUTION X-RAY STRUCTURES OF MYOGLOBIN-AND HEMOGLOBIN-ALKYL ISOCYANIDE COMPLEXES
Descriptor: ETHYL ISOCYANIDE, HEMOGLOBIN A (ETHYL ISOCYANIDE) (ALPHA CHAIN), HEMOGLOBIN A (ETHYL ISOCYANIDE) (BETA CHAIN), ...
Authors:Johnson, K.A, Olson, J.S, Phillips Jr, G.N.
Deposit date:1994-08-31
Release date:1995-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:High Resolution X-Ray Structures of Myoglobin-and Hemoglobin-Alkyl Isocyanide Complexes
Thesis, 1, 1993
3KFH
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BU of 3kfh by Molmil
Major mouse urinary protein IV complexed with 2-ethylhexanol
Descriptor: (2S)-2-ethylhexan-1-ol, CHLORIDE ION, Major urinary protein 4
Authors:Perez-Miller, S, Zou, Q, Hurley, T.D.
Deposit date:2009-10-27
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:High resolution X-ray structures of mouse major urinary protein nasal isoform in complex with pheromones.
Protein Sci., 19, 2010
2HEI
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BU of 2hei by Molmil
Crystal structure of human RAB5B in complex with GDP
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Rab-5B
Authors:Hong, B, Shen, L, Wang, J, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-06-21
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of human RAB5B in complex with GDP
To be Published
2HET
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BU of 2het by Molmil
Non-myristoylated bovine recoverin (truncated at C-terminus) with calcium bound to EF-hand 3
Descriptor: CALCIUM ION, Recoverin
Authors:Weiergraber, O.H, Granzin, J.
Deposit date:2006-06-22
Release date:2006-10-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Tuning of a neuronal calcium sensor.
J.Biol.Chem., 281, 2006
3KFR
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BU of 3kfr by Molmil
HIV Protease (PR) dimer with inhibitor TL-3 bound and fragment 1F1 in the outside/top of flap
Descriptor: 1H-indole-6-carboxylic acid, BETA-MERCAPTOETHANOL, Protease, ...
Authors:Stout, C.D.
Deposit date:2009-10-27
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
2H46
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BU of 2h46 by Molmil
Native domain-swapped dimer crystal structure of the Grb2 SH2 domain
Descriptor: GLYCEROL, Growth Receptor Binding Protein 2
Authors:Benfield, A.P, Martin, S.F, Whiddon, B.B.
Deposit date:2006-05-23
Release date:2006-06-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and energetic aspects of Grb2-SH2 domain-swapping.
Arch.Biochem.Biophys., 462, 2007
2H4C
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BU of 2h4c by Molmil
Structure of Daboiatoxin (heterodimeric PLA2 venom)
Descriptor: Phospholipase A2-II, Phospholipase A2-III
Authors:Gopalan, G, Thwin, M.M, Gopalakrishnakone, P, Swaminathan, K.
Deposit date:2006-05-24
Release date:2007-05-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and pharmacological comparison of daboiatoxin from Daboia russelli siamensis with viperotoxin F and vipoxin from other vipers.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
2H9J
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BU of 2h9j by Molmil
Structure of Hen egg white lysozyme soaked with Ni2-Xylylbicyclam
Descriptor: 1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11-TETRAAZACYCLOTETRADECANE]NI(II), CHLORIDE ION, Lysozyme C, ...
Authors:McNae, I.W, Hunter, T.M, Sadler, P.J, Walkinshaw, M.D.
Deposit date:2006-06-10
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Configurations of nickel-cyclam antiviral complexes and protein recognition.
Chemistry, 13, 2007
2HOG
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BU of 2hog by Molmil
crystal structure of Chek1 in complex with inhibitor 20
Descriptor: (5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-2H-1,2,3-TRIAZOL-4-YL)METHANOL, Serine/threonine-protein kinase Chk1
Authors:Yan, Y, Ikuta, M.
Deposit date:2006-07-14
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:3-(Indol-2-yl)indazoles as Chek1 kinase inhibitors: Optimization of potency and selectivity via substitution at C6.
Bioorg.Med.Chem.Lett., 16, 2006
3KCN
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BU of 3kcn by Molmil
The crystal structure of adenylate cyclase from Rhodopirellula baltica
Descriptor: Adenylate cyclase homolog
Authors:Zhang, Z, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-10-21
Release date:2009-11-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The crystal structure of adenylate cyclase from Rhodopirellula baltica
To be Published
3KDB
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BU of 3kdb by Molmil
Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10006
Descriptor: (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, Protease
Authors:Chufan, E.E, Lafont, V, Freire, E, Amzel, L.M.
Deposit date:2009-10-22
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:How much binding affinity can be gained by filling a cavity?
Chem.Biol.Drug Des., 75, 2010
3KF7
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BU of 3kf7 by Molmil
Crystal Structure of Human p38alpha Complexed With a Triazolopyrimidine compound
Descriptor: 3-{6-[2-(2,4-difluorophenyl)ethyl][1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-methylbenzamide, Mitogen-activated protein kinase 14
Authors:Shieh, H.-S, Williams, J.M, Stegeman, R.A, Xing, L, Jerome, K.D.
Deposit date:2009-10-27
Release date:2009-12-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Continued exploration of the triazolopyridine scaffold as a platform for p38 MAP kinase inhibition.
Bioorg.Med.Chem.Lett., 20, 2010
3KH3
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BU of 3kh3 by Molmil
Crystal structure of human Cu/Zn superoxide dismutase recombinantly produced in Leishmania tarantolae; P212121 crystal form containing 12 chains in the asymmetric unit
Descriptor: COPPER (II) ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Gazdag, E.M, Blankenfeldt, W.
Deposit date:2009-10-30
Release date:2010-08-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Purification and crystallization of human Cu/Zn superoxide dismutase recombinantly produced in the protozoan Leishmania tarentolae.
Acta Crystallogr.,Sect.F, 66, 2010
3KFI
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BU of 3kfi by Molmil
Major mouse urinary protein IV complexed with 2,5-dimethylpyrazine
Descriptor: 2,5-dimethylpyrazine, CHLORIDE ION, Major urinary protein 4
Authors:Perez-Miller, S, Zou, Q, Hurley, T.D.
Deposit date:2009-10-27
Release date:2010-06-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:High resolution X-ray structures of mouse major urinary protein nasal isoform in complex with pheromones.
Protein Sci., 19, 2010
2HS9
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BU of 2hs9 by Molmil
Multipattern Rietveld refinement with protein powder data: An approach to higher resolution
Descriptor: Lysozyme C
Authors:Von Dreele, R.B.
Deposit date:2006-07-21
Release date:2006-08-08
Last modified:2024-10-16
Method:POWDER DIFFRACTION
Cite:Multipattern Rietveld refinement with protein powder data: an approach to higher resolution
J.APPL.CRYSTALLOGR., 40, 2007
3KFP
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BU of 3kfp by Molmil
HIV Protease (PR) with inhibitor TL-3 bound, and DMSOs in exo site
Descriptor: BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, Protease, ...
Authors:Stout, C.D.
Deposit date:2009-10-27
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
2HT8
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BU of 2ht8 by Molmil
N8 neuraminidase in complex with oseltamivir
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase
Authors:Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J.
Deposit date:2006-07-25
Release date:2006-09-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design.
Nature, 443, 2006
2HI3
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BU of 2hi3 by Molmil
Solution structure of the homeodomain-only protein HOP
Descriptor: Homeodomain-only protein
Authors:Mackay, J.P, Kook, H, Epstein, J.A, Simpson, R.J, Yung, W.W.
Deposit date:2006-06-28
Release date:2007-01-02
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Analysis of the structure and function of the transcriptional coregulator HOP
Biochemistry, 45, 2006
2HIU
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BU of 2hiu by Molmil
NMR STRUCTURE OF HUMAN INSULIN IN 20% ACETIC ACID, ZINC-FREE, 10 STRUCTURES
Descriptor: INSULIN
Authors:Hua, Q.X, Gozani, S.N, Chance, R.E, Hoffmann, J.A, Frank, B.H, Weiss, M.A.
Deposit date:1996-10-08
Release date:1997-04-01
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Structure of a protein in a kinetic trap.
Nat.Struct.Biol., 2, 1995
3I5Z
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BU of 3i5z by Molmil
Crystal structure of ERK2 bound to (S)-N-(2-hydroxy-1-phenylethyl)-4-(5-methyl-2-(phenylamino)pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
Descriptor: Mitogen-activated protein kinase 1, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide, SULFATE ION
Authors:Jacobs, M.D, Xie, X.
Deposit date:2009-07-06
Release date:2010-01-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
2HKY
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BU of 2hky by Molmil
NMR solution structure of human RNase 7
Descriptor: Ribonuclease 7
Authors:Huang, Y.-C, Chen, C, Lou, Y.-C.
Deposit date:2006-07-06
Release date:2006-12-26
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:The flexible and clustered lysine residues of human ribonuclease 7 are critical for membrane permeability and antimicrobial activity.
J.Biol.Chem., 282, 2007
3HRW
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BU of 3hrw by Molmil
Crystal structure of hemoglobin from mouse (Mus musculus)at 2.8
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta-1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sundaresan, S.S, Ramesh, P, Ponnuswamy, M.N.
Deposit date:2009-06-10
Release date:2009-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of hemoglobin from mouse (Mus musculus) compared with those from other small animals and humans.
Acta Crystallogr.,Sect.F, 77, 2021
3I6H
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BU of 3i6h by Molmil
Ribonuclease A by LB nanotemplate method before high X-Ray dose on ESRF ID14-2 beamline
Descriptor: CHLORIDE ION, Ribonuclease pancreatic
Authors:Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C.
Deposit date:2009-07-07
Release date:2010-07-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Atomic structure and radiation resistance of langmuir-blodgett protein crystals
To be Published
3HV5
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BU of 3hv5 by Molmil
Human p38 MAP Kinase in Complex with RL24
Descriptor: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{3-[(6-nitroquinolin-4-yl)amino]phenyl}urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ...
Authors:Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
Deposit date:2009-06-15
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Displacement assay for the detection of stabilizers of inactive kinase conformations.
J.Med.Chem., 53, 2010

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