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6YSQ
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BU of 6ysq by Molmil
The hC4Nb8 complement inhibitory nanobody in complex with C4b
Descriptor: Complement C4 beta chain, Complement C4 gamma chain, Complement C4-A alpha chain, ...
Authors:Zarantonello, A, Laursen, N.S, Andersen, G.R.
Deposit date:2020-04-23
Release date:2020-06-24
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:An Ultrahigh-Affinity Complement C4b-Specific Nanobody Inhibits In Vivo Assembly of the Classical Pathway Proconvertase.
J Immunol., 205, 2020
3R1R
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BU of 3r1r by Molmil
RIBONUCLEOTIDE REDUCTASE R1 PROTEIN WITH AMPPNP OCCUPYING THE ACTIVITY SITE FROM ESCHERICHIA COLI
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, RIBONUCLEOTIDE REDUCTASE R1 PROTEIN, RIBONUCLEOTIDE REDUCTASE R2 PROTEIN
Authors:Eriksson, M, Eklund, H.
Deposit date:1997-07-21
Release date:1998-01-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Binding of allosteric effectors to ribonucleotide reductase protein R1: reduction of active-site cysteines promotes substrate binding.
Structure, 5, 1997
3F1W
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BU of 3f1w by Molmil
Crystal structure of a mutant proliferating cell nuclear antigen that blocks translesion synthesis
Descriptor: Proliferating cell nuclear antigen
Authors:Freudenthal, B.D, Ramaswamy, S, Washington, M.T.
Deposit date:2008-10-28
Release date:2008-12-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Structure of a Mutant Form of Proliferating Cell Nuclear Antigen That Blocks Translesion DNA Synthesis.
Biochemistry, 47, 2008
5F9L
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BU of 5f9l by Molmil
CRYSTAL STRUCTURE OF HUMAN DNA POLYMERASE ETA INSERTING dAMPNPP ACROSS A DNA TEMPLATE CONTAINING 1,N2-ETHENODEOXYGUANOSINE LESION
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*(GNE)P*AP*TP*GP*AP*CP*GP*CP*T)-3'), ...
Authors:Patra, A, Egli, M.
Deposit date:2015-12-09
Release date:2016-12-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.592 Å)
Cite:Bypass of the 1, N2-Ethenodeoxyguanosine Lesion by Human DNA Polymerase Eta
To Be Published
4IJO
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BU of 4ijo by Molmil
Unraveling hidden allosteric regulatory sites in structurally homologues metalloproteases
Descriptor: CALCIUM ION, Macrophage metalloelastase, ZINC ION
Authors:Udi, Y, Fragai, M, Grossman, M, Mitternacht, S, Arad-Yellin, R, Calderone, V, Melikian, M, Toccafondi, M, Berezovsky, I.N, Luchinat, C, Sagi, I.
Deposit date:2012-12-22
Release date:2013-05-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unraveling hidden regulatory sites in structurally homologous metalloproteases
J.Mol.Biol., 425, 2013
6FCS
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BU of 6fcs by Molmil
The X-ray Structure of Lytic Transglycosylase Slt inactive mutant E503Q from Pseudomonas aeruginosa in complex with NAG-NAMpentapeptide-NAG-NAMpentapeptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, ACETATE ION, ...
Authors:Batuecas, M.T, Dominguez-Gil, T, Hermoso, J.A.
Deposit date:2017-12-21
Release date:2018-04-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Exolytic and endolytic turnover of peptidoglycan by lytic transglycosylase Slt ofPseudomonas aeruginosa.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3D7V
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BU of 3d7v by Molmil
Crystal structure of Mcl-1 in complex with an Mcl-1 selective BH3 ligand
Descriptor: Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION
Authors:Lee, E.F, Czabotar, P.E, Colman, P.M, Fairlie, W.D.
Deposit date:2008-05-22
Release date:2008-06-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A novel BH3 ligand that selectively targets Mcl-1 reveals that apoptosis can proceed without Mcl-1 degradation.
J.Cell Biol., 180, 2008
5FJY
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BU of 5fjy by Molmil
Crystal structure of mouse kinesin light chain 2 (residues 161-480)
Descriptor: KINESIN LIGHT CHAIN 2, UNKNOWN PEPTIDE
Authors:Pernigo, S, Yip, Y.Y, Sanger, A, Xu, M, Dodding, M.P, Steiner, R.A.
Deposit date:2015-10-14
Release date:2016-02-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (4 Å)
Cite:The Light Chains of Kinesin-1 are Autoinhibited.
Proc.Natl.Acad.Sci.USA, 113, 2016
1N2C
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BU of 1n2c by Molmil
NITROGENASE COMPLEX FROM AZOTOBACTER VINELANDII STABILIZED BY ADP-TETRAFLUOROALUMINATE
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
Authors:Schindelin, H, Kisker, C, Rees, D.C.
Deposit date:1997-05-02
Release date:1997-11-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of ADP x AIF4(-)-stabilized nitrogenase complex and its implications for signal transduction.
Nature, 387, 1997
1PM9
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BU of 1pm9 by Molmil
CRYSTAL STRUCTURE OF HUMAN MNSOD H30N, Y166F MUTANT
Descriptor: MANGANESE (III) ION, Superoxide dismutase [Mn], mitochondrial
Authors:Fan, L, Tainer, J.A.
Deposit date:2003-06-10
Release date:2003-12-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Amino acid substitution at the dimeric interface of human manganese superoxide dismutase
J.Biol.Chem., 279, 2004
6ZBA
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BU of 6zba by Molmil
Crystal structure of PDE4D2 in complex with inhibitor LEO39652
Descriptor: 1,2-ETHANEDIOL, 2-methylpropyl 1-[8-methoxy-5-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate, DIMETHYL SULFOXIDE, ...
Authors:Akutsu, M, Hakansson, M, Welin, M, Svensson, A, Logan, D.T, Sorensen, M.D.
Deposit date:2020-06-08
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and Early Clinical Development of Isobutyl 1-[8-Methoxy-5-(1-oxo-3 H -isobenzofuran-5-yl)-[1,2,4]triazolo[1,5- a ]pyridin-2-yl]cyclopropanecarboxylate (LEO 39652), a Novel "Dual-Soft" PDE4 Inhibitor for Topical Treatment of Atopic Dermatitis.
J.Med.Chem., 63, 2020
5KOY
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BU of 5koy by Molmil
Mouse pgp 34 linker deleted bound with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Multidrug resistance protein 1A
Authors:Xia, D, Esser, L, Zhou, F.
Deposit date:2016-07-01
Release date:2016-12-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.85 Å)
Cite:Structures of the Multidrug Transporter P-glycoprotein Reveal Asymmetric ATP Binding and the Mechanism of Polyspecificity.
J. Biol. Chem., 292, 2017
5KO2
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BU of 5ko2 by Molmil
Mouse pgp 34 linker deleted mutant Hg derivative
Descriptor: MERCURY (II) ION, Multidrug resistance protein 1A
Authors:Xia, D, Esser, L, Zhou, F.
Deposit date:2016-06-29
Release date:2016-11-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structures of the Multidrug Transporter P-glycoprotein Reveal Asymmetric ATP Binding and the Mechanism of Polyspecificity.
J. Biol. Chem., 292, 2017
5KPD
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BU of 5kpd by Molmil
Mouse pgp 34 linker deleted double EQ mutant
Descriptor: Multidrug resistance protein 1A
Authors:Xia, D, Esser, L, Zhou, F.
Deposit date:2016-07-03
Release date:2016-11-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Structures of the Multidrug Transporter P-glycoprotein Reveal Asymmetric ATP Binding and the Mechanism of Polyspecificity.
J. Biol. Chem., 292, 2017
5KPI
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BU of 5kpi by Molmil
Mouse native PGP
Descriptor: Multidrug resistance protein 1A
Authors:Xia, D, Esser, L, Zhou, F.
Deposit date:2016-07-04
Release date:2016-11-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.01 Å)
Cite:Structures of the Multidrug Transporter P-glycoprotein Reveal Asymmetric ATP Binding and the Mechanism of Polyspecificity.
J. Biol. Chem., 292, 2017
3F0E
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BU of 3f0e by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, MAGNESIUM ION, ZINC ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2008-10-24
Release date:2008-11-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
5HGZ
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BU of 5hgz by Molmil
Crystal structure of human Naa60 in complex with acetyl-CoA
Descriptor: ACETYL COENZYME *A, MALONIC ACID, N-alpha-acetyltransferase 60
Authors:Chen, J.Y, Liu, L, Yun, C.H.
Deposit date:2016-01-09
Release date:2016-09-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.383 Å)
Cite:Structure and function of human Naa60 (NatF), a Golgi-localized bi-functional acetyltransferase
Sci Rep, 6, 2016
5FSR
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BU of 5fsr by Molmil
Crystal structure of penicillin binding protein 6B from Escherichia coli
Descriptor: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE DACD
Authors:Peters, K, Kannan, S, Rao, V.A, Bilboy, J, Vollmer, D, Erickson, S.W, Lewis, R.J, Young, K.D, Vollmer, W.
Deposit date:2016-01-07
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Redundancy of Peptidoglycan Carboxypeptidases Ensures Robust Cell Shape Maintenance in Escherichia Coli
Mbio, 7, 2016
1N2N
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BU of 1n2n by Molmil
Crystal structure of cyanide complex of the oxygenase domain of inducible nitric oxide synthase.
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, CYANIDE ION, ...
Authors:Fedorov, R, Ghosh, D.K, Schlichting, I.
Deposit date:2002-10-23
Release date:2003-02-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of cyanide complexes of P450cam and the oxygenase domain of inducible nitric oxide synthase-structural models of the short-lived oxygen complexes
Arch.Biochem.Biophys., 409, 2003
1N1Y
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BU of 1n1y by Molmil
Trypanosoma rangeli sialidase in complex with sialic acid
Descriptor: N-acetyl-alpha-neuraminic acid, Sialidase
Authors:Amaya, M.F, Buschiazzo, A, Nguyen, T, Alzari, P.M.
Deposit date:2002-10-21
Release date:2003-01-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The high resolution structures of free and inhibitor-bound Trypanosoma rangeli sialidase and its comparison with T. cruzi trans-sialidase
J.Mol.Biol., 325, 2003
1N1T
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BU of 1n1t by Molmil
Trypanosoma rangeli sialidase in complex with DANA at 1.6 A
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, SULFATE ION, Sialidase
Authors:Amaya, M.F, Buschiazzo, A, Nguyen, T, Alzari, P.M.
Deposit date:2002-10-20
Release date:2003-01-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The high resolution structures of free and inhibitor-bound Trypanosoma rangeli sialidase and its comparison with T. cruzi trans-sialidase
J.Mol.Biol., 325, 2003
4J55
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BU of 4j55 by Molmil
Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical isolate PR20 with the potent antiviral inhibitor GRL-02031
Descriptor: (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, Protease
Authors:Wang, Y.-F, Agniswamy, J, Weber, I.T.
Deposit date:2013-02-07
Release date:2013-05-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Extreme Multidrug Resistant HIV-1 Protease with 20 Mutations Is Resistant to Novel Protease Inhibitors with P1'-Pyrrolidinone or P2-Tris-tetrahydrofuran.
J.Med.Chem., 56, 2013
1YWM
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BU of 1ywm by Molmil
Crystal structure of the N-terminal domain of group B Streptococcus alpha C protein
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, C protein alpha-antigen, GLYCEROL
Authors:Auperin, T.C, Bolduc, G.R, Baron, M.J, Heroux, A, Filman, D.J, Madoff, L.C, Hogle, J.M.
Deposit date:2005-02-18
Release date:2005-03-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of the N-terminal domain of the group B streptococcus alpha C protein.
J.Biol.Chem., 280, 2005
2WJX
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BU of 2wjx by Molmil
Crystal structure of the human ionotropic glutamate receptor GluR2 ATD region at 4.1 A resolution
Descriptor: GLUTAMATE RECEPTOR 2
Authors:Clayton, A, Siebold, C, Gilbert, R.J.C, Sutton, G.C, Harlos, K, McIlhinney, R.A.J, Jones, E.Y, Aricescu, A.R.
Deposit date:2009-06-01
Release date:2009-08-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Crystal Structure of the Glur2 Amino-Terminal Domain Provides Insights Into the Architecture and Assembly of Ionotropic Glutamate Receptors.
J.Mol.Biol., 392, 2009
1PL4
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BU of 1pl4 by Molmil
Crystal Structure of human MnSOD Y166F mutant
Descriptor: MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial
Authors:Fan, L, Tainer, J.A.
Deposit date:2003-06-06
Release date:2003-12-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Amino acid substitution at the dimeric interface of human manganese superoxide dismutase
J.Biol.Chem., 279, 2004

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