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2F76
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BU of 2f76 by Molmil
Solution structure of the M-PMV wild type matrix protein (p10)
Descriptor: Core protein p10
Authors:Vlach, J, Lipov, J, Veverka, V, Lang, J, Srb, P, Rumlova, M, Hunter, E, Ruml, T, Hrabal, R.
Deposit date:2005-11-30
Release date:2006-12-05
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:D-retrovirus morphogenetic switch driven by the targeting signal accessibility to Tctex-1 of dynein.
Proc.Natl.Acad.Sci.USA, 105, 2008
2F6X
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BU of 2f6x by Molmil
Crystal Structure of (S)-3-O-Geranylgeranylglyceryl Phosphate Synthase complexed with sn-G1P and MPD
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (S)-3-O-Geranylgeranylglyceryl Phosphate Synthase, SN-GLYCEROL-1-PHOSPHATE
Authors:Payandeh, J.M.
Deposit date:2005-11-29
Release date:2006-01-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of (S)-3-O-geranylgeranylglyceryl phosphate synthase reveals an ancient fold for an ancient enzyme
J.Biol.Chem., 281, 2006
2F1A
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BU of 2f1a by Molmil
GOLGI ALPHA-MANNOSIDASE II COMPLEX WITH (2R,3R,4S)-2-({[(1S)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol
Descriptor: (2R,3R,4S)-2-({[(1S)-2-HYDROXY-1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-3,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2005-11-14
Release date:2006-12-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Evaluation of docking programs for predicting binding of Golgi alpha-mannosidase II inhibitors: a comparison with crystallography.
Proteins, 69, 2007
2PC0
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BU of 2pc0 by Molmil
Apo Wild-type HIV Protease in the open conformation
Descriptor: MAGNESIUM ION, Protease, R-1,2-PROPANEDIOL
Authors:Heaslet, H, Rosenfeld, R, Giffin, M.J, Elder, J.H, McRee, D.E, Stout, C.D.
Deposit date:2007-03-29
Release date:2007-06-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Conformational flexibility in the flap domains of ligand-free HIV protease.
Acta Crystallogr.,Sect.D, 63, 2007
4DXU
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BU of 4dxu by Molmil
Crystal Structure of C-lobe of Bovine lactoferrin Complexed with aminocaproic acid at 1.46 A Resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINOHEXANOIC ACID, ...
Authors:Shukla, P.K, Gautam, L, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2012-02-28
Release date:2012-03-14
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Crystal Structure of C-lobe of Bovine lactoferrin Complexed with aminocaproic acid at 1.46 A Resolution
To be Published
2YKI
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BU of 2yki by Molmil
Tricyclic series of Hsp90 inhibitors
Descriptor: 1-H-PYRROLO[2,3-B]PYRIDINE-4-CARBOXYLIC ACID [4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL]-AMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Dupuy, A, Vallee, F.
Deposit date:2011-05-27
Release date:2011-10-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 54, 2011
2YSE
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BU of 2yse by Molmil
Solution structure of the second WW domain from the human membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1. MAGI-1
Descriptor: Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1
Authors:Ohnishi, S, Sato, M, Koshiba, S, Harada, T, Watanabe, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-03
Release date:2007-10-09
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the second WW domain from the human membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1. MAGI-1
To be Published
2GB4
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BU of 2gb4 by Molmil
Crystal structure of Thiopurine methyltransferase (18204406) from Mus musculus at 1.35 A resolution
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, Thiopurine S-methyltransferase
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2006-03-09
Release date:2006-09-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of Thiopurine methyltransferase (18204406) from Mus musculus at 1.35 A resolution
To be published
3FC2
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BU of 3fc2 by Molmil
PLK1 in complex with BI6727
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Bader, G.
Deposit date:2008-11-21
Release date:2009-05-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:BI 6727, A Polo-like Kinase Inhibitor with Improved Pharmacokinetic Profile and Broad Antitumor Activity.
Clin.Cancer Res., 15, 2009
3WRV
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BU of 3wrv by Molmil
Crystal structure of NN domain of resistance protein
Descriptor: Tm-1 protein
Authors:Matsumura, H, Katoh, E.
Deposit date:2014-02-27
Release date:2014-08-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis for the recognition-evasion arms race between Tomato mosaic virus and the resistance gene Tm-1
Proc.Natl.Acad.Sci.USA, 111, 2014
5P8Y
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BU of 5p8y by Molmil
humanized rat catechol O-methyltransferase in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[3-(pyrrolo[3,2-c]pyridin-1-ylmethoxy)propyl]benzamide at 1.42A
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-(4-fluorophenyl)-2,3-dihydroxy-N-[3-(pyrrolo[3,2-c]pyridin-1-ylmethoxy)propyl]benzamide, ...
Authors:Ehler, A, Lerner, C, Rudolph, M.G.
Deposit date:2016-08-29
Release date:2017-08-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal Structure of a COMT complex
To be published
2YSD
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BU of 2ysd by Molmil
Solution structure of the first WW domain from the human membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1. MAGI-1
Descriptor: Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1
Authors:Ohnishi, S, Tochio, N, Koshiba, S, Harada, T, Watanabe, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-03
Release date:2007-10-09
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the first WW domain from the human membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1. MAGI-1
To be Published
1AIZ
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BU of 1aiz by Molmil
STRUCTURE OF APO-AZURIN FROM ALCALIGENES DENITRIFICANS AT 1.8 ANGSTROMS RESOLUTION
Descriptor: AZURIN, CADMIUM ION, SULFATE ION
Authors:Baker, E.N, Anderson, B.F, Blackwell, K.A.
Deposit date:1993-11-11
Release date:1994-01-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of apo-azurin from Alcaligenes denitrificans at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 49, 1993
2KOZ
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BU of 2koz by Molmil
Solution structure of nasonin-1
Descriptor: nasonin-1
Authors:Kouno, T, Tian, C, Luo, L, Zhu, S, Mizuguchi, M.
Deposit date:2009-10-04
Release date:2010-10-06
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Solution structure of nasonin-1
To be Published
1OAD
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BU of 1oad by Molmil
Glucose isomerase from Streptomyces rubiginosus in P21212 crystal form
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Ramagopal, U.A, Dauter, M, Dauter, Z.
Deposit date:2003-01-08
Release date:2003-01-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Sad Manganese in Two Crystal Forms of Glucose Isomerase
Acta Crystallogr.,Sect.D, 59, 2003
5OP8
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BU of 5op8 by Molmil
Factor Inhibiting HIF (FIH) in complex with zinc and Molidustat
Descriptor: 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)-1~{H}-pyrazol-3-one, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Leissing, T.M, Schofield, C.J, Clifton, I.J, Lu, X.
Deposit date:2017-08-09
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
3R20
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BU of 3r20 by Molmil
Crystal structure of cytidylate kinase from Mycobacterium smegmatis
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cytidylate kinase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-03-11
Release date:2011-04-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3WUC
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BU of 3wuc by Molmil
X-ray crystal structure of Xenopus laevis galectin-Va
Descriptor: Galectin, MALONIC ACID, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Nonaka, Y, Yoshida, H, Kamitori, S, Nakamura, T.
Deposit date:2014-04-23
Release date:2015-04-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of a Xenopus laevis skin proto-type galectin, close to but distinct from galectin-1.
Glycobiology, 25, 2015
1A5W
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BU of 1a5w by Molmil
ASV INTEGRASE CORE DOMAIN WITH HIV-1 INTEGRASE INHIBITOR Y3
Descriptor: 4-ACETYLAMINO-5-HYDROXYNAPHTHALENE-2,7-DISULFONIC ACID, INTEGRASE
Authors:Lubkowski, J, Yang, F, Alexandratos, J, Wlodawer, A.
Deposit date:1998-02-18
Release date:1998-05-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the catalytic domain of avian sarcoma virus integrase with a bound HIV-1 integrase-targeted inhibitor.
Proc.Natl.Acad.Sci.USA, 95, 1998
3NTP
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BU of 3ntp by Molmil
Human Pin1 complexed with reduced amide inhibitor
Descriptor: (2R)-2-(acetylamino)-3-[(2S)-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]propyl dihydrogen phosphate, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Zhang, Y.
Deposit date:2010-07-05
Release date:2012-01-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:A reduced-amide inhibitor of Pin1 binds in a conformation resembling a twisted-amide transition state.
Biochemistry, 50, 2011
1T3I
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BU of 1t3i by Molmil
Structure of slr0077/SufS, the Essential Cysteine Desulfurase from Synechocystis PCC 6803
Descriptor: GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, Probable cysteine desulfurase, ...
Authors:Tirupati, B, Vey, J.L, Drennan, C.L, Bollinger Jr, J.M.
Deposit date:2004-04-26
Release date:2004-09-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Kinetic and structural characterization of Slr0077/SufS, the essential cysteine desulfurase from Synechocystis sp. PCC 6803.
Biochemistry, 43, 2004
1A5X
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BU of 1a5x by Molmil
ASV INTEGRASE CORE DOMAIN WITH HIV-1 INTEGRASE INHIBITOR Y3
Descriptor: 4-ACETYLAMINO-5-HYDROXYNAPHTHALENE-2,7-DISULFONIC ACID, INTEGRASE
Authors:Lubkowski, J, Yang, F, Alexandratos, J, Wlodawer, A.
Deposit date:1998-02-18
Release date:1998-05-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the catalytic domain of avian sarcoma virus integrase with a bound HIV-1 integrase-targeted inhibitor.
Proc.Natl.Acad.Sci.USA, 95, 1998
5PAJ
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BU of 5paj by Molmil
Crystal Structure of Factor VIIa in complex with 1-(1-aminoisoquinolin-6-yl)-3-benzylurea
Descriptor: 1-(1-azanylisoquinolin-6-yl)-3-(phenylmethyl)urea, CALCIUM ION, CHLORIDE ION, ...
Authors:Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
Deposit date:2016-11-10
Release date:2017-06-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of a Factor VIIa complex
To be published
3T6C
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BU of 3t6c by Molmil
Crystal structure of an enolase from pantoea ananatis (efi target efi-501676) with bound d-gluconate and mg
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, D-gluconic acid, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2011-07-28
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:Crystal structure of an enolase from pantoea ananatis (efi target efi-501676) with bound d-gluconate and mg
to be published
5PAY
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BU of 5pay by Molmil
Crystal Structure of Factor VIIa in complex with 1-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylurea
Descriptor: 1-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylurea, CALCIUM ION, CHLORIDE ION, ...
Authors:Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G.
Deposit date:2016-11-10
Release date:2017-06-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal Structure of a Factor VIIa complex
To be published

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