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7GU2
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BU of 7gu2 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster8
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7PHH
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BU of 7phh by Molmil
Human voltage-gated potassium channel Kv3.1 (apo condition)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, POTASSIUM ION, Potassium voltage-gated channel, ...
Authors:Chi, G, Venkaya, S, Singh, N.K, McKinley, G, Mukhopadhyay, S.M.M, Marsden, B, MacLean, E.M, Fernandez-Cid, A, Pike, A.C.W, Savva, C, Ragan, T.J, Burgess-Brown, N.A, Duerr, K.L.
Deposit date:2021-08-17
Release date:2022-03-02
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of the human Kv3.1 channel reveals gating control by the cytoplasmic T1 domain.
Nat Commun, 13, 2022
7GSJ
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BU of 7gsj by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000543a
Descriptor: (phenylmethyl) 4-oxidanylpiperidine-1-carboxylate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
2CZI
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BU of 2czi by Molmil
Crystal structure of human myo-inositol monophosphatase 2 (IMPA2) with calcium and phosphate ions
Descriptor: CALCIUM ION, Inositol monophosphatase 2, PHOSPHATE ION
Authors:Arai, R, Ito, K, Ohnishi, T, Ohba, H, Yoshikawa, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-07-13
Release date:2006-07-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of human myo-inositol monophosphatase 2, the product of the putative susceptibility gene for bipolar disorder, schizophrenia, and febrile seizures
Proteins, 67, 2007
7GU3
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BU of 7gu3 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster9
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5DSD
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BU of 5dsd by Molmil
The crystal structure of the C-terminal domain of Ebola (Bundibugyo) nucleoprotein
Descriptor: CHLORIDE ION, GLYCEROL, Nucleoprotein
Authors:Baker, L, Handing, K.B, Utepbergenov, D, Derewenda, U, Derewenda, Z.S.
Deposit date:2015-09-17
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Molecular architecture of the nucleoprotein C-terminal domain from the Ebola and Marburg viruses.
Acta Crystallogr D Struct Biol, 72, 2016
7GSX
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BU of 7gsx by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA001440b
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-methyl-1-benzofuran-2-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7PHI
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BU of 7phi by Molmil
Human voltage-gated potassium channel Kv3.1 (with Zn)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, POTASSIUM ION, Potassium voltage-gated channel, ...
Authors:Chi, G, Qian, P, Castro-Hartmann, P, Venkaya, S, Singh, N.K, McKinley, G, Mukhopadhyay, S.M.M, Fernandez-Cid, A, Marsden, B, MacLean, E.M, Pike, A.C.W, Sader, K, Burgess-Brown, N.A, Duerr, K.L.
Deposit date:2021-08-17
Release date:2022-03-02
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure of the human Kv3.1 channel reveals gating control by the cytoplasmic T1 domain.
Nat Commun, 13, 2022
7GT8
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BU of 7gt8 by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA001439b
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-chloranylthiophene-2-sulfonamide, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
8TNS
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BU of 8tns by Molmil
Solution structure of poly(UG) RNA (GU)12 G-quadruplex
Descriptor: RNA (5'-R(*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*U)-3')
Authors:Escobar, C.A, Petersen, R, Butcher, S.E.
Deposit date:2023-08-02
Release date:2023-11-15
Last modified:2024-05-15
Method:SOLUTION NMR, SOLUTION SCATTERING
Cite:Solution Structure of Poly(UG) RNA.
J.Mol.Biol., 435, 2023
1MVW
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BU of 1mvw by Molmil
MOLECULAR MODELS OF AVERAGED RIGOR CROSSBRIDGES FROM TOMOGRAMS OF INSECT FLIGHT MUSCLE
Descriptor: RABBIT SKELETAL MUSCLE ACTIN, SKELETAL MUSCLE MYOSIN II, SKELETAL MUSCLE MYOSIN II ESSENTIAL; LIGHT CHAIN, ...
Authors:Chen, L.F, Winkler, H, Reedy, M.K, Reedy, M.C, Taylor, K.A.
Deposit date:2002-09-26
Release date:2002-11-20
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (70 Å)
Cite:Molecular Modeling of Averaged Rigor Crossbridges from Tomograms of Insect Flight Muscle
J.STRUCT.BIOL., 138, 2002
5DTK
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BU of 5dtk by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 17
Descriptor: 1,2-ETHANEDIOL, 3,5-di(pyridin-4-yl)benzoic acid, Beta-lactamase, ...
Authors:Lund, B.A, Christopeit, T, Leiros, H.-K.S.
Deposit date:2015-09-18
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.60000241 Å)
Cite:Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
5AOR
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BU of 5aor by Molmil
Structure of MLE RNA ADP AlF4 complex
Descriptor: 5'-R(*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP)-3', ADENOSINE-5'-DIPHOSPHATE, DOSAGE COMPENSATION REGULATOR, ...
Authors:Prabu, J.R, Conti, E.
Deposit date:2015-09-11
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure of the RNA Helicase Mle Reveals the Molecular Mechanisms for Uridine Specificity and RNA-ATP Coupling.
Mol.Cell, 60, 2015
4GCL
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BU of 4gcl by Molmil
structure of no-dna factor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (5'-D(*AP*GP*TP*GP*AP*GP*TP*AP*CP*TP*CP*AP*CP*T)-3'), Nucleoid occlusion factor SlmA
Authors:Schumacher, M.A.
Deposit date:2012-07-30
Release date:2013-06-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:SlmA forms a higher-order structure on DNA that inhibits cytokinetic Z-ring formation over the nucleoid.
Proc.Natl.Acad.Sci.USA, 110, 2013
2ZFH
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BU of 2zfh by Molmil
Crystal structure of putative CutA1 from Homo sapiens at 2.05A resolution
Descriptor: CutA
Authors:Bagautdinov, B, Yutani, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2008-01-07
Release date:2008-01-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of putative CutA1 from Homo sapiens determined at 2.05 A resolution.
Acta Crystallogr.,Sect.F, 64, 2008
5AN1
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BU of 5an1 by Molmil
Crystallographic structure of the Glutathione S-Transferase from Litopenaeus vannamei complexed with Glutathione
Descriptor: GLUTATHIONE, GLUTATHIONE S-TRANSFERASE
Authors:Juarez-Martinez, A.B, Sotelo-Mundo, R, Rudino-Pinera, E.
Deposit date:2015-09-02
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a class-mu glutathione S-transferase from whiteleg shrimp Litopenaeus vannamei: structural changes in the xenobiotic binding H-site may alter the spectra of molecules bound.
J. Biochem. Mol. Toxicol., 31, 2017
5EAL
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BU of 5eal by Molmil
Crystal structure of human WDR5 in complex with compound 9h
Descriptor: 1,2-ETHANEDIOL, 3-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-quinolin-3-yl-phenyl]benzamide, CHLORIDE ION, ...
Authors:DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2015-10-16
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human WDR5 in complex with compound 9h
to be published
4KIT
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BU of 4kit by Molmil
Crystal structure of human Brr2 in complex with the Prp8 Jab1/MPN domain
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Pre-mRNA-processing-splicing factor 8, ...
Authors:Wahl, M.C, Wandersleben, T, Santos, K.F.
Deposit date:2013-05-02
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.598 Å)
Cite:Inhibition of RNA helicase Brr2 by the C-terminal tail of the spliceosomal protein Prp8.
Science, 341, 2013
3E4P
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BU of 3e4p by Molmil
Crystal structure of malonate occupied DctB
Descriptor: C4-dicarboxylate transport sensor protein dctB, MALONIC ACID, STRONTIUM ION
Authors:Zhou, Y.F, Nan, J, Nan, B.Y, Liang, Y.H, Panjikar, S, Su, X.D.
Deposit date:2008-08-12
Release date:2008-10-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:C4-dicarboxylates sensing mechanism revealed by the crystal structures of DctB sensor domain.
J.Mol.Biol., 383, 2008
5B42
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BU of 5b42 by Molmil
Crystal structure of the C-terminal endonuclease domain of Aquifex aeolicus MutL.
Descriptor: CADMIUM ION, DI(HYDROXYETHYL)ETHER, DNA mismatch repair protein MutL
Authors:Fukui, K, Baba, S, Kumasaka, T, Yano, T.
Deposit date:2016-03-30
Release date:2016-07-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural Features and Functional Dependency on beta-Clamp Define Distinct Subfamilies of Bacterial Mismatch Repair Endonuclease MutL
J.Biol.Chem., 291, 2016
5DYO
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BU of 5dyo by Molmil
Fab43.1 complex with flourescein
Descriptor: 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, Fab 43.1 Heavy Chain, Fab 43.1 Light Chain, ...
Authors:Longenecker, K.L, Judge, R.A.
Deposit date:2015-09-25
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Three-dimensional structure, binding, and spectroscopic characteristics of the monoclonal antibody 43.1 directed to the carboxyphenyl moiety of fluorescein.
Biopolymers, 105, 2016
4KLZ
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BU of 4klz by Molmil
Inhibition of Small GTPases by Stabilization of the GDP Complex, a Novel Approach applied to Rit1, a Target for Rheumatoid Arthritis
Descriptor: GTP-binding protein Rit1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Shah, D.M, Kobayashi, M, Keizers, P.H, Tuin, A.W, Ab, E, Manning, L, Rzepiela, A.A, Andrews, M, Hoedemaeker, F.J, Siegal, G.
Deposit date:2013-05-07
Release date:2014-09-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Inhibition of Small GTPases by Stabilization of the GDP Complex, a Novel Approach applied to Rit1, a Target for Rheumatoid Arthritis
To be Published
4FRZ
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BU of 4frz by Molmil
Arabidopsis KCBP motor domain dimerized via regulatory domain
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, IMIDAZOLE, ...
Authors:Vinogradova, M.
Deposit date:2012-06-26
Release date:2013-07-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Plant Kinesin-Like Calmodulin Binding Protein Employs Its Regulatory Domain for Dimerization.
Plos One, 8, 2013
3E67
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BU of 3e67 by Molmil
Murine inos dimer with inhibitor 4-MAP bound
Descriptor: 4-METHYLPYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
Authors:Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
Deposit date:2008-08-14
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3E6T
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BU of 3e6t by Molmil
Structure of murine INOS oxygenase domain with inhibitor AR-C118901
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE, Nitric oxide synthase, ...
Authors:Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
Deposit date:2008-08-15
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008

223790

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