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3EQM
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BU of 3eqm by Molmil
Crystal structure of human placental aromatase cytochrome P450 in complex with androstenedione
Descriptor: 4-ANDROSTENE-3-17-DIONE, Cytochrome P450 19A1, PHOSPHATE ION, ...
Authors:Ghosh, D.
Deposit date:2008-10-01
Release date:2008-12-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for androgen specificity and oestrogen synthesis in human aromatase.
Nature, 457, 2009
2ID8
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BU of 2id8 by Molmil
Crystal structure of Proteinase K
Descriptor: (S)-(2,3-DIHYDROXYPROPOXY)TRIHYDROXYBORATE, CALCIUM ION, CHLORIDE ION, ...
Authors:Wang, J, Dauter, M, Dauter, Z.
Deposit date:2006-09-14
Release date:2006-10-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:What can be done with a good crystal and an accurate beamline?
Acta Crystallogr.,Sect.D, 62, 2006
3ER3
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BU of 3er3 by Molmil
The active site of aspartic proteinases
Descriptor: 6-ammonio-N-[(2R,4R,5R)-5-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-L-norleucylphenylalanine, ENDOTHIAPEPSIN
Authors:Al-Karadaghi, S, Cooper, J.B, Veerapandian, B, Hoover, D, Blundell, T.L.
Deposit date:1991-01-02
Release date:1991-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Active Site of Aspartic Proteinases
FEBS Lett., 174, 1984
2IUG
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BU of 2iug by Molmil
Crystal structure of the PI3-kinase p85 N-terminal SH2 domain
Descriptor: PHOSPHATIDYLINOSITOL 3-KINASE REGULATORY ALPHA SUBUNIT
Authors:Nolte, R.T, Eck, M.J, Schlessinger, J, Shoelson, S.E, Harrison, S.C.
Deposit date:2006-06-03
Release date:2006-06-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal Structure of the Pi 3-Kinase P85 Amino-Terminal Sh2 Domain and its Phosphopeptide Complexes
Nat.Struct.Biol., 3, 1996
3EUX
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BU of 3eux by Molmil
Crystal Structure of Crosslinked Ribonuclease A
Descriptor: Ribonuclease pancreatic
Authors:Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
Deposit date:2008-10-12
Release date:2009-06-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
2IUI
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BU of 2iui by Molmil
Crystal structure of the PI3-kinase p85 N-terminal SH2 domain in complex with PDGFR phosphotyrosyl peptide
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Platelet-derived growth factor receptor beta
Authors:Nolte, R.T, Eck, M.J, Schlessinger, J, Shoelson, S.E, Harrison, S.C.
Deposit date:2006-06-03
Release date:2006-06-06
Last modified:2021-04-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the Pi 3-Kinase P85 Amino- Terminal Sh2 Domain and its Phosphopeptide Complexes
Nat.Struct.Biol., 3, 1996
6YZA
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BU of 6yza by Molmil
Trypsin inhibitor in complex with bovine trypsin
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ...
Authors:Badran, M.J, Heine, A, Klebe, G.
Deposit date:2020-05-06
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Trypsin inhibitor in complex with bovine trypsin
To Be Published
5EHO
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BU of 5eho by Molmil
Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach
Descriptor: DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, ~{N}8-cyclohexyl-~{N}2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
Authors:Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S.
Deposit date:2015-10-28
Release date:2016-11-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach
To Be Published
3EV4
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BU of 3ev4 by Molmil
Crystal Structure of Ribonuclease A in 50% Trifluoroethanol
Descriptor: Ribonuclease pancreatic, TRIFLUOROETHANOL
Authors:Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
Deposit date:2008-10-12
Release date:2009-06-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
5EQO
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BU of 5eqo by Molmil
Human Angiogenin in complex with sulphate anions at an acidic solution
Descriptor: Angiogenin, SULFATE ION
Authors:Chatzileontiadou, D.S.M, Leonidas, D.D.
Deposit date:2015-11-13
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The ammonium sulfate inhibition of human angiogenin.
Febs Lett., 590, 2016
2J06
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BU of 2j06 by Molmil
Crystal structure of the RasGAP SH3 domain at 1.8 Angstrom resolution
Descriptor: RAS GTPASE-ACTIVATING PROTEIN 1
Authors:Ross, B, Gajhede, M, Kristensen, O.
Deposit date:2006-08-01
Release date:2007-01-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High Resolution Crystal Structures of the P120 Rasgap SH3 Domain.
Biochem.Biophys.Res.Commun., 353, 2007
6ZLI
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BU of 6zli by Molmil
CRYSTAL STRUCTURE OF KRAS-G12D IN COMPLEX WITH COMPOUND 13 AND GCP
Descriptor: 2-[(2~{R})-piperidin-2-yl]-1~{H}-indole, GTPase KRas, MAGNESIUM ION, ...
Authors:Kessler, D, Fischer, G, Boettcher, J.
Deposit date:2020-06-30
Release date:2020-08-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
3EQC
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BU of 3eqc by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with compound 1, ATP-GS AND MG2P
Descriptor: 2-[(2-chloro-4-iodophenyl)amino]-N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Fischmann, T.O.
Deposit date:2008-09-30
Release date:2009-02-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
6ZLN
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BU of 6zln by Molmil
CLK1 bound with GW807982X (Cpd 8)
Descriptor: 1,2-ETHANEDIOL, 4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-~{N}-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine, Dual specificity protein kinase CLK1
Authors:Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-06-30
Release date:2020-08-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
6Z2V
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BU of 6z2v by Molmil
CLK3 A319V mutant bound with beta-carboline KH-CARB13 (Cpd 3)
Descriptor: (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile, 1,2-ETHANEDIOL, Dual specificity protein kinase CLK3, ...
Authors:Schroeder, M, Chaikuad, A, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-05-18
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
3EQF
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BU of 3eqf by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex with K252A and MG2P
Descriptor: CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, K-252A, ...
Authors:Fischmann, T.O.
Deposit date:2008-09-30
Release date:2009-02-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
6Z4Y
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BU of 6z4y by Molmil
Crystal structure of Aurora A (STK6) in complex with macrocycle ODS2003208
Descriptor: 1,2-ETHANEDIOL, 6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, Aurora kinase A, ...
Authors:Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-05-26
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of Aurora A (STK6) in complex with macrocycle ODS2003208
To Be Published
6Z51
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BU of 6z51 by Molmil
Crystal structure of CLK3 in complex with macrocycle ODS2002941
Descriptor: 1,2-ETHANEDIOL, Dual specificity protein kinase CLK3, N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide, ...
Authors:Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-05-26
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structure of CLK3 in complex with macrocycle ODS2002941
To Be Published
6Z63
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BU of 6z63 by Molmil
FtsE structure from Streptococus pneumoniae in complex with ADP at 1.57 A resolution (spacegroup P 21)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cell division ATP-binding protein FtsE
Authors:Alcorlo, M, Straume, D, Havarstein, L.S, Hermoso, J.A.
Deposit date:2020-05-27
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structural Characterization of the Essential Cell Division Protein FtsE and Its Interaction with FtsX in Streptococcus pneumoniae.
Mbio, 11, 2020
5EN1
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BU of 5en1 by Molmil
Crystal structure of hnRNPA2B1 in complex with RNA
Descriptor: Heterogeneous nuclear ribonucleoproteins A2/B1, RNA (5'-R(*AP*GP*GP*AP*CP*UP*G)-3')
Authors:Wu, B.X, Su, S.C, Ma, J.B.
Deposit date:2015-11-09
Release date:2016-11-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Molecular basis for the specific and multivariant recognitions of RNA substrates by human hnRNP A2/B1
Nat Commun, 2018
6Z7O
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BU of 6z7o by Molmil
Crystal structure of Thioredoxin T from Drosophila melanogaster
Descriptor: Thioredoxin-T, ZINC ION
Authors:Freier, R, Aragon, E, Baginski, B, Pluta, R, Martin-Malpartida, P, Torner, C, Gonzaez, C, Macias, M.
Deposit date:2020-05-31
Release date:2020-10-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structures of the germline-specific Deadhead and thioredoxin T proteins from Drosophila melanogaster reveal unique features among thioredoxins.
Iucrj, 8, 2021
2J05
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BU of 2j05 by Molmil
Crystal structure of the RasGAP SH3 domain at 1.5 Angstrom resolution
Descriptor: RAS GTPASE-ACTIVATING PROTEIN 1
Authors:Ross, B, Gajhede, M, Kristensen, O.
Deposit date:2006-08-01
Release date:2007-01-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High Resolution Crystal Structures of the P120 Rasgap SH3 Domain.
Biochem.Biophys.Res.Commun., 353, 2007
6Z3V
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BU of 6z3v by Molmil
A4V mutant of human SOD1 bound with N-aryl benzoisoselenazolone derivative 13 in P21 space group
Descriptor: 5-fluoranyl-~{N}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-22
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
3EUZ
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BU of 3euz by Molmil
Crystal Structure of Ribonuclease A in 50% Dimethylformamide
Descriptor: DIMETHYLFORMAMIDE, Ribonuclease pancreatic
Authors:Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
Deposit date:2008-10-12
Release date:2009-06-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
3EQH
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BU of 3eqh by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with U0126, ADP and MG2P
Descriptor: (2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
Authors:Fischmann, T.O.
Deposit date:2008-09-30
Release date:2009-02-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009

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