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1HYK
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BU of 1hyk by Molmil
AGOUTI-RELATED PROTEIN (87-132) (AC-AGRP(87-132))
Descriptor: AGOUTI RELATED PROTEIN
Authors:Bolin, K.A, Anderson, D.J, Trulson, J.A, Thompson, D.A, Wilken, J, Kent, S.B.H, Millhauser, G.L.
Deposit date:2001-01-19
Release date:2001-02-07
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:NMR structure of a minimized human agouti related protein prepared by total chemical synthesis.
FEBS Lett., 451, 1999
4BLA
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BU of 4bla by Molmil
Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form II)
Descriptor: MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG
Authors:Cherry, A.L, Finta, C, Karlstrom, M, Toftgard, R, Jovine, L.
Deposit date:2013-05-02
Release date:2013-11-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation
Acta Crystallogr.,Sect.D, 69, 2013
2XQK
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BU of 2xqk by Molmil
X-ray Structure of human butyrylcholinesterase inhibited by pure enantiomer VX-(S)
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:Wandhammer, M, Carletti, E, Gillon, E, Masson, P, Goeldner, M, Noort, D, Nachon, F.
Deposit date:2010-09-02
Release date:2011-03-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Study of the Complex Stereoselectivity of Human Butyrylcholinesterase for the Neurotoxic V-Agents.
J.Biol.Chem., 286, 2011
3SAU
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BU of 3sau by Molmil
MUTM Interrogation complex 6
Descriptor: 5'-D(*A*GP*GP*TP*AP*GP*AP*CP*CP*AP*GP*GP*AP*CP*GP*C)-3', 5'-D(*TP*GP*CP*GP*T*CP*CP*TP*GP*GP*(TX2) P*CP*TP*AP*CP*C)-3', DNA GLYCOSYLASE, ...
Authors:Spong, M.C, Qi, Y, Verdine, G.L.
Deposit date:2011-06-03
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Strandwise translocation of a DNA glycosylase on undamaged DNA.
Proc.Natl.Acad.Sci.USA, 109, 2012
4C8B
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BU of 4c8b by Molmil
Structure of the kinase domain of human RIPK2 in complex with ponatinib
Descriptor: 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2
Authors:Canning, P, Krojer, T, Bradley, A, Mahajan, P, Goubin, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2013-09-30
Release date:2013-10-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Inflammatory Signaling by NOD-RIPK2 Is Inhibited by Clinically Relevant Type II Kinase Inhibitors.
Chem. Biol., 22, 2015
4EK1
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BU of 4ek1 by Molmil
Crystal Structure of Electron-Spin Labeled Cytochrome P450cam
Descriptor: CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Lee, Y.-T, Goodin, D.B.
Deposit date:2012-04-08
Release date:2012-07-25
Last modified:2012-08-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Double electron-electron resonance shows cytochrome P450cam undergoes a conformational change in solution upon binding substrate.
Proc.Natl.Acad.Sci.USA, 109, 2012
3SAW
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BU of 3saw by Molmil
MUTM Slanted complex 8 with R112A mutation
Descriptor: 5'-D(*A*GP*GP*TP*AP*GP*AP*CP*AP*AP*GP*GP*AP*CP*GP*C)-3', 5'-D(*TP*GP*CP*GP*TP*C*CP*TP*TP*GP*TP*(CX2)P*TP*AP*CP*C)-3', DNA GLYCOSYLASE, ...
Authors:Qi, Y, Verdine, G.L.
Deposit date:2011-06-03
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Strandwise translocation of a DNA glycosylase on undamaged DNA.
Proc.Natl.Acad.Sci.USA, 109, 2012
2XQJ
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BU of 2xqj by Molmil
X-ray Structure of human butyrylcholinesterase inhibited by pure enantiomer VX-(R)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Wandhammer, M, Carletti, E, Gillon, E, Masson, P, Goeldner, M, Noort, D, Nachon, F.
Deposit date:2010-09-02
Release date:2011-03-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Study of the Complex Stereoselectivity of Human Butyrylcholinesterase for the Neurotoxic V-Agents.
J.Biol.Chem., 286, 2011
2XQG
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BU of 2xqg by Molmil
X-ray Structure of human butyrylcholinesterase inhibited by racemic VR
Descriptor: 2-METHYLPROPYL HYDROGEN (R)-METHYLPHOSPHONATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wandhammer, M, Carletti, E, Gillon, E, Masson, P, Goeldner, M, Noort, D, Nachon, F.
Deposit date:2010-09-02
Release date:2011-03-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Study of the Complex Stereoselectivity of Human Butyrylcholinesterase for the Neurotoxic V-Agents.
J.Biol.Chem., 286, 2011
3SAV
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BU of 3sav by Molmil
MUTM Slanted complex 8
Descriptor: DNA (5'-D(*AP*GP*GP*TP*AP*GP*AP*CP*AP*AP*GP*GP*AP*CP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*GP*T*CP*CP*TP*TP*GP*TP*(CX2)P*TP*AP*CP*C)-3'), DNA GLYCOSYLASE, ...
Authors:Spong, M.C, Qi, Y, Verdine, G.L.
Deposit date:2011-06-03
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.125 Å)
Cite:Strandwise translocation of a DNA glycosylase on undamaged DNA.
Proc.Natl.Acad.Sci.USA, 109, 2012
6MBW
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BU of 6mbw by Molmil
Structure of Transcription Factor
Descriptor: Signal transducer and activator of transcription 5B
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2018-08-30
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Structural and functional consequences of the STAT5BN642H driver mutation.
Nat Commun, 10, 2019
3SAR
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BU of 3sar by Molmil
MUTM Slanted complex 1
Descriptor: 5'-D(*AP*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 5'-D(*TP*GP*C*GP*TP*CP*CP*AP*GP*GP*TP*(CX2) P*TP*AP*CP*C)-3', Formamidopyrimidine-DNA glycosylase, ...
Authors:Banerjee, A, Qi, Y, Spong, M.C, Verdine, G.L.
Deposit date:2011-06-03
Release date:2012-01-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Strandwise translocation of a DNA glycosylase on undamaged DNA.
Proc.Natl.Acad.Sci.USA, 109, 2012
3VFF
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BU of 3vff by Molmil
BlaC E166A CDC-OMe Acyl-Intermediate Complex
Descriptor: (2R)-2-[(1S)-1-(benzoylamino)-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Mire, J.A, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-01-09
Release date:2012-09-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.777 Å)
Cite:BlaC-Specific Fluorogenic Probes for Rapid Tuberculosis Detection
To be Published
2XQI
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BU of 2xqi by Molmil
X-ray Structure of human butyrylcholinesterase inhibited by racemic CVX
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Wandhammer, M, Carletti, E, Gillon, E, Masson, P, Goeldner, M, Noort, D, Nachon, F.
Deposit date:2010-09-02
Release date:2011-03-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Study of the Complex Stereoselectivity of Human Butyrylcholinesterase for the Neurotoxic V-Agents.
J.Biol.Chem., 286, 2011
4BLD
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BU of 4bld by Molmil
Crystal structure of a human Suppressor of fused (SUFU)-GLI3p complex
Descriptor: MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, TRANSCRIPTIONAL ACTIVATOR GLI3, ...
Authors:Cherry, A.L, Finta, C, Karlstrom, M, De Sanctis, D, Toftgard, R, Jovine, L.
Deposit date:2013-05-02
Release date:2013-11-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation
Acta Crystallogr.,Sect.D, 69, 2013
1D2A
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BU of 1d2a by Molmil
CRYSTAL STRUCTURE OF A YEAST LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LTP1) COMPLEXED WITH THE ACTIVATOR ADENINE
Descriptor: ADENINE, CHLORIDE ION, PHOSPHATE ION, ...
Authors:Wang, S, Stauffacher, C.V, Van Etten, R.L.
Deposit date:1999-09-22
Release date:2000-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and mechanistic basis for the activation of a low-molecular weight protein tyrosine phosphatase by adenine.
Biochemistry, 39, 2000
4BL8
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BU of 4bl8 by Molmil
Crystal structure of full-length human Suppressor of fused (SUFU)
Descriptor: MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Karlstrom, M, Finta, C, Cherry, A.L, Toftgard, R, Jovine, L.
Deposit date:2013-05-02
Release date:2013-11-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation
Acta Crystallogr.,Sect.D, 69, 2013
6MBZ
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BU of 6mbz by Molmil
Structure of Transcription Factor
Descriptor: Signal transducer and activator of transcription 5B
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2018-08-30
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structural and functional consequences of the STAT5BN642Hdriver mutation.
Nat Commun, 10, 2019
1C0E
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BU of 1c0e by Molmil
Active Site S19A Mutant of Bovine Heart Phosphotyrosyl Phosphatase
Descriptor: PHOSPHATE ION, PROTEIN (TYROSINE PHOSPHATASE (ORTHOPHOSPHORIC MONOESTER PHOSPHOHYDROLASE))
Authors:Tabernero, L, Evans, B.N, Tishmack, P.A, Van Etten, R.L, Stauffacher, C.V.
Deposit date:1999-07-15
Release date:1999-09-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of the bovine protein tyrosine phosphatase dimer reveals a potential self-regulation mechanism.
Biochemistry, 38, 1999
7W30
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BU of 7w30 by Molmil
Tudor domain of SMN in complex with a small molecule
Descriptor: 1,2-dimethylquinolin-4-imine, Survival motor neuron protein, UNKNOWN ATOM OR ION
Authors:Li, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Liu, Y, Min, J.
Deposit date:2021-11-24
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.
Nat Commun, 13, 2022
2JAJ
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BU of 2jaj by Molmil
DDAH1 complexed with L-257
Descriptor: NG, NG-DIMETHYLARGININE DIMETHYLAMINOHYDROLASE 1, N~5~-{IMINO[(2-METHOXYETHYL)AMINO]METHYL}-L-ORNITHINE
Authors:Murray-Rust, J, O'Hara, B.P, Rossiter, S, Leiper, J.M, Vallance, P, McDonald, N.Q.
Deposit date:2006-11-29
Release date:2007-02-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Disruption of methylarginine metabolism impairs vascular homeostasis.
Nat. Med., 13, 2007
3VTP
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BU of 3vtp by Molmil
HIV fusion inhibitor MT-C34
Descriptor: Transmembrane protein gp41
Authors:Yao, X, Waltersperger, S, Wang, M, Cui, S.
Deposit date:2012-06-02
Release date:2012-08-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The M-T hook structure is critical for design of HIV-1 fusion inhibitors.
J.Biol.Chem., 287, 2012
1OGY
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BU of 1ogy by Molmil
Crystal structure of the heterodimeric nitrate reductase from Rhodobacter sphaeroides
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DIHEME CYTOCHROME C NAPB MOLECULE: NITRATE REDUCTASE, HEME C, ...
Authors:Arnoux, P, Sabaty, M, Alric, J, Frangioni, B, Guigliarelli, B, Adriano, J.-M, Pignol, D.
Deposit date:2003-05-19
Release date:2003-10-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural and Redox Plasticity in the Heterodimeric Periplasmic Nitrate Reductase
Nat.Struct.Biol., 10, 2003
3ZM7
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BU of 3zm7 by Molmil
CRYSTAL STRUCTURE OF THE ATPASE REGION OF Mycobacterium tuberculosis GyrB WITH AMPPCP
Descriptor: DNA GYRASE SUBUNIT B, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Agrawal, A, Roue, M, Spitzfaden, C, Petrella, S, Aubry, A, Volker, C, Mossakowska, D, Hann, M, Bax, B, Mayer, C.
Deposit date:2013-02-05
Release date:2013-09-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Mycobacterium Tuberculosis DNA Gyrase ATPase Domain Structures Suggest a Dissociative Mechanism that Explains How ATP Hydrolysis is Coupled to Domain Motion.
Biochem.J., 456, 2013
3ZKD
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BU of 3zkd by Molmil
CRYSTAL STRUCTURE OF THE ATPASE REGION OF Mycobacterium tuberculosis GyrB WITH AMPPNP
Descriptor: DNA GYRASE SUBUNIT B, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Agrawal, A, Roue, M, Spitzfaden, C, Petrella, S, Aubry, A, Volker, C, Mossakowska, D, Hann, M, Bax, B, Mayer, C.
Deposit date:2013-01-22
Release date:2013-09-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Mycobacterium Tuberculosis DNA Gyrase ATPase Domain Structures Suggest a Dissociative Mechanism that Explains How ATP Hydrolysis is Coupled to Domain Motion.
Biochem.J., 456, 2013

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