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4AOQ
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BU of 4aoq by Molmil
Cationic trypsin in complex with mutated Spinacia oleracea trypsin inhibitor III (SOTI-III) (F14A)
Descriptor: CALCIUM ION, CATIONIC TRYPSIN, PENTAETHYLENE GLYCOL, ...
Authors:Schmelz, S, Glotzbach, B, Reinwarth, M, Christmann, A, Kolmar, H, Heinz, D.W.
Deposit date:2012-03-29
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Characterization of Spinacia Oleracea Trypsin Inhibitor III (Soti-III)
Acta Crystallogr.,Sect.D, 69, 2013
4ABE
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BU of 4abe by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
Descriptor: (3-PYRAZOL-1-YLPHENYL)METHANAMINE, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Newman, J, Peat, T.S.
Deposit date:2011-12-08
Release date:2012-02-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
4AB8
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BU of 4ab8 by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
Descriptor: 1,2-ETHANEDIOL, 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine, CALCIUM ION, ...
Authors:Newman, J, Peat, T.S.
Deposit date:2011-12-08
Release date:2012-02-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
4AOR
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BU of 4aor by Molmil
Cationic trypsin in complex with the Spinacia oleracea trypsin inhibitor III (SOTI-III)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CATIONIC TRYPSIN, ...
Authors:Schmelz, S, Glotzbach, B, Reinwarth, M, Christmann, A, Kolmar, H, Heinz, D.W.
Deposit date:2012-03-29
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Structural Characterization of Spinacia Oleracea Trypsin Inhibitor III (Soti-III)
Acta Crystallogr.,Sect.D, 69, 2013
4AB9
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BU of 4ab9 by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
Descriptor: 1,2-ETHANEDIOL, 1-(2,3-dihydro-1-benzofuran-5-yl)methanamine, CALCIUM ION, ...
Authors:Newman, J, Peat, T.S.
Deposit date:2011-12-08
Release date:2012-02-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
4AD6
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BU of 4ad6 by Molmil
Synthesis and SAR of guanine based analogues for HPPK inhibitors
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 7-(2-HYDROXYETHYL)-8-MERCAPTOGUANINE
Authors:Chhabra, S, Peat, T.S, Swarbrick, J.
Deposit date:2011-12-22
Release date:2013-01-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Exploring the Chemical Space Around 8-Mercaptoguanine as a Route to New Inhibitors of the Folate Biosynthesis Enzyme Hppk.
Plos One, 8, 2013
4AOM
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BU of 4aom by Molmil
MTIP and MyoA complex
Descriptor: MYOSIN A TAIL DOMAIN INTERACTING PROTEIN, MYOSIN-A
Authors:Salgado, P.S, Douse, C.H, Simpson, P.J, Thomas, J.C, Holder, A.A, Tate, E.W, Cota, E.
Deposit date:2012-03-29
Release date:2012-09-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.939 Å)
Cite:Regulation of the Plasmodium Motor Complex: Phosphorylation of Myosin a Tail Interacting Protein (Mtip) Loosens its Grip on Myoa
J.Biol.Chem., 287, 2012
4AR4
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BU of 4ar4 by Molmil
Neutron crystallographic structure of the reduced form perdeuterated Pyrococcus furiosus rubredoxin to 1.38 Angstrom resolution.
Descriptor: FE (III) ION, Rubredoxin, deuterium(1+), ...
Authors:Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T.
Deposit date:2012-04-20
Release date:2013-01-16
Last modified:2024-06-19
Method:NEUTRON DIFFRACTION (1.381 Å)
Cite:Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation State Equilibria in Redox Changes.
Angew.Chem.Int.Ed.Engl., 52, 2013
4AR3
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BU of 4ar3 by Molmil
Near-atomic resolution neutron crystallography on the oxidised form perdeuterated Pyrococcus furiosus rubredoxin.
Descriptor: FE (III) ION, Rubredoxin, deuterium(1+), ...
Authors:Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T.
Deposit date:2012-04-20
Release date:2013-01-16
Last modified:2024-05-08
Method:NEUTRON DIFFRACTION (1.05 Å)
Cite:Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation State Equilibria in Redox Changes.
Angew.Chem.Int.Ed.Engl., 52, 2013
4ABJ
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BU of 4abj by Molmil
Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (IcA)SFTI-1(1,14), that was 1,5-disubstituted with 1,2,3- trizol to mimic a cis amide bond
Descriptor: CALCIUM ION, CATIONIC TRYPSIN, DIMETHYLFORMAMIDE, ...
Authors:Schmelz, S, Empting, M, Tischler, M, Nasu, D, Heinz, D, Kolmar, H.
Deposit date:2011-12-08
Release date:2012-03-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Braces for the Peptide Backbone: Insights Into Structure-Activity Relation-Ships of Protease Inhibitor Mimics with Locked Amide Conformations
Angew.Chem.Int.Ed.Engl., 51, 2012
4ABI
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BU of 4abi by Molmil
Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (PtA)SFTI-1(1,14), that was 1,4-disubstituted with a 1,2,3- trizol to mimic a trans amide bond
Descriptor: CALCIUM ION, CATIONIC TRYPSIN, DIMETHYLFORMAMIDE, ...
Authors:Schmelz, S, Empting, M, Tischler, M, Nasu, D, Heinz, D, Kolmar, H.
Deposit date:2011-12-08
Release date:2012-03-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Braces for the Peptide Backbone: Insights Into Structure-Activity Relation-Ships of Protease Inhibitor Mimics with Locked Amide Conformations
Angew.Chem.Int.Ed.Engl., 51, 2012
4A4C
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BU of 4a4c by Molmil
Structure of phosphoTyr371-c-Cbl-UbcH5B-ZAP-70 complex
Descriptor: CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE CBL, TYROSINE-PROTEIN KINASE ZAP-70, ...
Authors:Dou, H, Buetow, L, Hock, A, Sibbet, G.J, Vousden, K.H, Huang, D.T.
Deposit date:2011-10-08
Release date:2012-01-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.704 Å)
Cite:Structural Basis for Autoinhibition and Phosphorylation-Dependent Activation of C-Cbl
Nat.Struct.Mol.Biol., 19, 2012
4A4B
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BU of 4a4b by Molmil
Structure of modified phosphoTyr371-c-Cbl-UbcH5B-ZAP-70 complex
Descriptor: CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE CBL, TYROSINE-PROTEIN KINASE ZAP-70, ...
Authors:Dou, H, Buetow, L, Hock, A, Sibbet, G.J, Vousden, K.H, Huang, D.T.
Deposit date:2011-10-08
Release date:2012-01-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.789 Å)
Cite:Structural Basis for Autoinhibition and Phosphorylation-Dependent Activation of C-Cbl
Nat.Struct.Mol.Biol., 19, 2012
4AR6
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BU of 4ar6 by Molmil
X-ray crystallographic structure of the reduced form perdeuterated Pyrococcus furiosus rubredoxin at 295 K (in quartz capillary) to 0.92 Angstroms resolution.
Descriptor: FE (III) ION, RUBREDOXIN
Authors:Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T.
Deposit date:2012-04-20
Release date:2012-12-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (0.92 Å)
Cite:Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation Equilibria and Hydronium Ions in Redox Changes
Angew.Chem.Int.Ed.Engl., 52, 2013
3ZSL
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BU of 3zsl by Molmil
Crystal structure of Apo Human Galectin-3 CRD at 1.08 angstrom resolution, at cryogenic temperature
Descriptor: GALECTIN-3
Authors:Saraboji, K, Hakansson, M, Diehl, C, Nilsson, U.J, Leffler, H, Akke, M, Logan, D.T.
Deposit date:2011-06-28
Release date:2011-12-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:The Carbohydrate-Binding Site in Galectin-3 is Pre-Organized to Recognize a Sugar-Like Framework of Oxygens: Ultra-High Resolution Structures and Water Dynamics.
Biochemistry, 51, 2012
4BBT
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BU of 4bbt by Molmil
The PR1 Photocycle Intermediate of Photoactive Yellow Protein
Descriptor: 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN
Authors:Schotte, F, Cho, H.S, Kaila, V.R.I, Kamikubo, H, Dashdorj, N, Henry, E.R, Graber, T.J, Henning, R, Wulff, M, Hummer, G, Kataoka, M, Anfinrud, P.A.
Deposit date:2012-09-27
Release date:2012-11-14
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Watching a Signaling Protein Function in Real Time Via 100-Ps Time-Resolved Laue Crystallography.
Proc.Natl.Acad.Sci.USA, 109, 2012
4B3N
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BU of 4b3n by Molmil
Crystal structure of rhesus TRIM5alpha PRY/SPRY domain
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MALTOSE-BINDING PERIPLASMIC PROTEIN, TRIPARTITE MOTIF-CONTAINING PROTEIN 5, ...
Authors:Yang, H, Ji, X, Zhao, Q, Xiong, Y.
Deposit date:2012-07-25
Release date:2012-10-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural Insight Into HIV-1 Capsid Recognition by Rhesus Trim5Alpha
Proc.Natl.Acad.Sci.USA, 109, 2012
4AV2
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BU of 4av2 by Molmil
Single particle electron microscopy of PilQ dodecameric complexes from Neisseria meningitidis.
Descriptor: PILP PROTEIN, TYPE IV PILUS BIOGENESIS AND COMPETENCE PROTEIN PILQ
Authors:Berry, J.L, Phelan, M.M, Collins, R.F, Adomavicius, T, Tonjum, T, Frye, S.A, Bird, L, Owens, R, Ford, R.C, Lian, L.Y, Derrick, J.P.
Deposit date:2012-05-23
Release date:2012-10-17
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (26 Å)
Cite:Structure and Assembly of a Trans-Periplasmic Channel for Type Iv Pili in Neisseria Meningitidis.
Plos Pathog., 8, 2012
4A4M
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BU of 4a4m by Molmil
Crystal structure of the light-activated constitutively active N2C, M257Y,D282C rhodopsin mutant in complex with a peptide resembling the C-terminus of the Galpha-protein subunit (GaCT)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GUANINE NUCLEOTIDE-BINDING PROTEIN G(T) SUBUNIT ALPHA-3, ...
Authors:Deupi, X, Edwards, P, Singhal, A, Nickle, B, Oprian, D.D, Schertler, G.F.X, Standfuss, J.
Deposit date:2011-10-17
Release date:2012-01-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Stabilized G Protein Binding Site in the Structure of Constitutively Active Metarhodopsin-II.
Proc.Natl.Acad.Sci.USA, 109, 2012
4B9O
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BU of 4b9o by Molmil
The PR0 Photocycle Intermediate of Photoactive Yellow Protein
Descriptor: 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN
Authors:Schotte, F, Cho, H.S, Kaila, V.R.I, Kamikubo, H, Dashdorj, N, Henry, E.R, Graber, T.J, Henning, R, Wulff, M, Hummer, G, Kataoka, M, Anfinrud, P.A.
Deposit date:2012-09-06
Release date:2012-11-14
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Watching a Signaling Protein Function in Real Time Via 100-Ps Time-Resolved Laue Crystallography
Proc.Natl.Acad.Sci.USA, 109, 2012
3ZHM
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BU of 3zhm by Molmil
N-terminal domain of the CI repressor from bacteriophage TP901-1 in complex with the OL2 operator half-site
Descriptor: 5'-D(*AP*CP*GP*TP*GP*AP*AP*CP*TP*TP*GP*CP*AP*CP *TP*TP*GP*A)-3', 5'-D(*AP*GP*TP*TP*CP*AP*CP*GP*TP*TP*CP*AP*AP*GP *TP*GP*CP*A)-3', CI
Authors:Frandsen, K.H, Rasmussen, K.K, Poulsen, J.N, Lo Leggio, L.
Deposit date:2012-12-22
Release date:2013-12-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Binding of the N-Terminal Domain of the Lactococcal Bacteriophage Tp901-1 Ci Repressor to its Target DNA: A Crystallography, Small Angle Scattering, and Nuclear Magnetic Resonance Study.
Biochemistry, 52, 2013
4BBV
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BU of 4bbv by Molmil
The PB0 Photocycle Intermediate of Photoactive Yellow Protein
Descriptor: 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN
Authors:Schotte, F, Cho, H.S, Kaila, V.R.I, Kamikubo, H, Dashdorj, N, Henry, E.R, Graber, T.J, Henning, R, Wulff, M, Hummer, G, Kataoka, M, Anfinrud, P.A.
Deposit date:2012-09-28
Release date:2012-11-14
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Watching a Signaling Protein Function in Real Time Via 100-Ps Time-Resolved Laue Crystallography.
Proc.Natl.Acad.Sci.USA, 109, 2012
4BBU
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BU of 4bbu by Molmil
The PR2 Photocycle Intermediate of Photoactive Yellow Protein
Descriptor: 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN
Authors:Schotte, F, Cho, H.S, Kaila, V.R.I, Kamikubo, H, Dashdorj, N, Henry, E.R, Graber, T.J, Henning, R, Wulff, M, Hummer, G, Kataoka, M, Anfinrud, P.A.
Deposit date:2012-09-27
Release date:2012-11-14
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Watching a Signaling Protein Function in Real Time Via 100-Ps Time-Resolved Laue Crystallography.
Proc.Natl.Acad.Sci.USA, 109, 2012
3ZHI
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BU of 3zhi by Molmil
N-terminal domain of the CI repressor from bacteriophage TP901-1
Descriptor: CI
Authors:Frandsen, K.H, Rasmussen, K.K, Poulsen, J.N, Lo Leggio, L.
Deposit date:2012-12-21
Release date:2013-12-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Binding of the N-Terminal Domain of the Lactococcal Bacteriophage Tp901-1 Ci Repressor to its Target DNA: A Crystallography, Small Angle Scattering, and Nuclear Magnetic Resonance Study.
Biochemistry, 52, 2013
4A49
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BU of 4a49 by Molmil
Structure of phosphoTyr371-c-Cbl-UbcH5B complex
Descriptor: E3 ubiquitin-protein ligase CBL, POTASSIUM ION, Ubiquitin-conjugating enzyme E2 D2, ...
Authors:Dou, H, Buetow, L, Hock, A, Sibbet, G.J, Vousden, K.H, Huang, D.T.
Deposit date:2011-10-07
Release date:2012-01-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.214 Å)
Cite:Structural basis for autoinhibition and phosphorylation-dependent activation of c-Cbl.
Nat. Struct. Mol. Biol., 19, 2012

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