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7B83
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BU of 7b83 by Molmil
Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc
Descriptor: 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, CHLORIDE ION, ...
Authors:Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-12-12
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
6PNY
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X-ray Structure of Flpp3
Descriptor: Flpp3
Authors:Zook, J.D, Shekhar, M, Hansen, D.T, Conrad, C, Grant, T.D, Gupta, C, White, T, Barty, A, Basu, S, Zhao, Y, Zatsepin, N.A, Ishchenko, A, Batyuk, A, Gati, C, Li, C, Galli, L, Coe, J, Hunter, M, Liang, M, Weierstall, U, Nelson, G, James, D, Stauch, B, Craciunescu, F, Thifault, D, Liu, W, Cherezov, V, Singharoy, A, Fromme, P.
Deposit date:2019-07-03
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:XFEL and NMR Structures of Francisella Lipoprotein Reveal Conformational Space of Drug Target against Tularemia.
Structure, 28, 2020
4UP4
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Structure of the recombinant lectin PVL from Psathyrella velutina in complex with GlcNAcb-D-1,3Galactoside
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose, ...
Authors:Audfray, A, Beljoudi, M, Hurbin, A, Varrot, A, Breiman, A, Busser, B, Lependu, J, Coll, J.L, Imberty, A.
Deposit date:2014-06-12
Release date:2015-01-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Recombinant Fungal Lectin for Labeling Truncated Glycans on Human Cancer Cells.
Plos One, 10, 2015
8EL2
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BU of 8el2 by Molmil
SARS-CoV-2 RBD bound to neutralizing antibody Fab ICO-hu23
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab ICO-hu23 Heavy Chain, Fab ICO-hu23 Light Chain, ...
Authors:Besaw, J.E, Kuo, A, Morizumi, T, Ernst, O.P.
Deposit date:2022-09-22
Release date:2023-07-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Broadly neutralizing humanized SARS-CoV-2 antibody binds to a conserved epitope on Spike and provides antiviral protection through inhalation-based delivery in non-human primates.
Plos Pathog., 19, 2023
8ELJ
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SARS-CoV-2 spike glycoprotein in complex with the ICO-hu23 neutralizing antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ICO-hu23 antibody Fab heavy chain, ...
Authors:Yee, A.W, Morizumi, T, Kim, K, Kuo, A, Ernst, O.P.
Deposit date:2022-09-24
Release date:2023-07-19
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Broadly neutralizing humanized SARS-CoV-2 antibody binds to a conserved epitope on Spike and provides antiviral protection through inhalation-based delivery in non-human primates.
Plos Pathog., 19, 2023
1AJR
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BU of 1ajr by Molmil
REFINEMENT AND COMPARISON OF THE CRYSTAL STRUCTURES OF PIG CYTOSOLIC ASPARTATE AMINOTRANSFERASE AND ITS COMPLEX WITH 2-METHYLASPARTATE
Descriptor: ASPARTATE AMINOTRANSFERASE
Authors:Rhee, S, Silva, M.M, Hyde, C.C, Rogers, P.H, Metzler, C.M, Metzler, D.E, Arnone, A.
Deposit date:1997-05-08
Release date:1997-08-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Refinement and comparisons of the crystal structures of pig cytosolic aspartate aminotransferase and its complex with 2-methylaspartate.
J.Biol.Chem., 272, 1997
131D
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BU of 131d by Molmil
THE LOW-TEMPERATURE CRYSTAL STRUCTURE OF THE PURE-SPERMINE FORM OF Z-DNA REVEALS BINDING OF A SPERMINE MOLECULE IN THE MINOR GROOVE
Descriptor: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SODIUM ION, SPERMINE
Authors:Bancroft, D, Williams, L.D, Rich, A, Egli, M.
Deposit date:1993-06-18
Release date:1993-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1 Å)
Cite:The low-temperature crystal structure of the pure-spermine form of Z-DNA reveals binding of a spermine molecule in the minor groove.
Biochemistry, 33, 1994
184L
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SPECIFICITY OF LIGAND BINDING IN A BURIED NON-POLAR CAVITY OF T4 LYSOZYME: LINKAGE OF DYNAMICS AND STRUCTURAL PLASTICITY
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, ISOBUTYLBENZENE, ...
Authors:Morton, A, Matthews, B.W.
Deposit date:1995-04-19
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Specificity of ligand binding in a buried nonpolar cavity of T4 lysozyme: linkage of dynamics and structural plasticity.
Biochemistry, 34, 1995
1914
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BU of 1914 by Molmil
SIGNAL RECOGNITION PARTICLE ALU RNA BINDING HETERODIMER, SRP9/14
Descriptor: BETA-MERCAPTOETHANOL, PHOSPHATE ION, SIGNAL RECOGNITION PARTICLE 9/14 FUSION PROTEIN
Authors:Birse, D, Kapp, U, Strub, K, Cusack, S, Aberg, A.
Deposit date:1997-11-13
Release date:1998-12-30
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:The crystal structure of the signal recognition particle Alu RNA binding heterodimer, SRP9/14.
EMBO J., 16, 1997
183L
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SPECIFICITY OF LIGAND BINDING IN A BURIED NON-POLAR CAVITY OF T4 LYSOZYME: LINKAGE OF DYNAMICS AND STRUCTURAL PLASTICITY
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, INDENE, ...
Authors:Morton, A, Matthews, B.W.
Deposit date:1995-04-19
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Specificity of ligand binding in a buried nonpolar cavity of T4 lysozyme: linkage of dynamics and structural plasticity.
Biochemistry, 34, 1995
190D
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BU of 190d by Molmil
Crystal structure of a four-stranded intercalated DNA: d(C4)
Descriptor: DNA (5'-D(*CP*CP*CP*C)-3')
Authors:Chen, L, Cai, L, Zhang, X, Rich, A.
Deposit date:1994-09-02
Release date:1995-02-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a four-stranded intercalated DNA: d(C4).
Biochemistry, 33, 1994
141D
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BU of 141d by Molmil
SOLUTION STRUCTURE OF A CONSERVED DNA SEQUENCE FROM THE HIV-1 GENOME: RESTRAINED MOLECULAR DYNAMICS SIMULATION WITH DISTANCE AND TORSION ANGLE RESTRAINTS DERIVED FROM TWO-DIMENSIONAL NMR SPECTRA
Descriptor: DNA (5'-D(*AP*GP*CP*TP*TP*GP*CP*CP*TP*TP*GP*AP*G)-3'), DNA (5'-D(*CP*TP*CP*AP*AP*GP*GP*CP*AP*AP*GP*CP*T)-3')
Authors:Mujeeb, A, James, T.L.
Deposit date:1993-09-24
Release date:1994-04-30
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure of a conserved DNA sequence from the HIV-1 genome: restrained molecular dynamics simulation with distance and torsion angle restraints derived from two-dimensional NMR spectra.
Biochemistry, 32, 1993
182L
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BU of 182l by Molmil
SPECIFICITY OF LIGAND BINDING IN A BURIED NON-POLAR CAVITY OF T4 LYSOZYME: LINKAGE OF DYNAMICS AND STRUCTURAL PLASTICITY
Descriptor: 2-HYDROXYETHYL DISULFIDE, BENZOFURAN, CHLORIDE ION, ...
Authors:Morton, A, Matthews, B.W.
Deposit date:1995-04-19
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Specificity of ligand binding in a buried nonpolar cavity of T4 lysozyme: linkage of dynamics and structural plasticity.
Biochemistry, 34, 1995
197D
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BU of 197d by Molmil
ORTHORHOMBIC CRYSTAL STRUCTURE OF THE A-DNA OCTAMER D(GTACGTAC). COMPARISON WITH THE TETRAGONAL STRUCTURE
Descriptor: DNA (5'-D(*GP*TP*AP*CP*GP*TP*AP*C)-3')
Authors:Langlois D'Estaintot, B, Dautant, A, Courseille, C, Precigoux, G.
Deposit date:1994-11-24
Release date:1995-02-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Orthorhombic crystal structure of the A-DNA octamer d(GTACGTAC). Comparison with the tetragonal structure.
Eur.J.Biochem., 213, 1993
198D
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BU of 198d by Molmil
A TRIGONAL FORM OF THE IDARUBICIN-D(CGATCG) COMPLEX: CRYSTAL AND MOLECULAR STRUCTURE AT 2.0 ANGSTROMS RESOLUTION
Descriptor: DNA (5'-D(*CP*GP*AP*TP*CP*G)-3'), IDARUBICIN, SPERMINE
Authors:Dautant, A, Langlois D'Estaintot, B, Gallois, B, Brown, T, Hunter, W.N.
Deposit date:1994-11-28
Release date:1995-03-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:A trigonal form of the idarubicin:d(CGATCG) complex; crystal and molecular structure at 2.0 A resolution.
Nucleic Acids Res., 23, 1995
1A0U
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BU of 1a0u by Molmil
HEMOGLOBIN (VAL BETA1 MET) MUTANT
Descriptor: HEMOGLOBIN (ALPHA CHAIN), HEMOGLOBIN (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE
Authors:Kavanaugh, J.S, Arnone, A.
Deposit date:1997-12-08
Release date:1998-03-18
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:High-resolution crystal structures of human hemoglobin with mutations at tryptophan 37beta: structural basis for a high-affinity T-state,.
Biochemistry, 37, 1998
8F8E
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Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound
Descriptor: (3P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-3-(4-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide, CITRIC ACID, DDB1- and CUL4-associated factor 1
Authors:Kimani, S, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2022-11-21
Release date:2023-03-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound
To be published
181L
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SPECIFICITY OF LIGAND BINDING IN A BURIED NON-POLAR CAVITY OF T4 LYSOZYME: LINKAGE OF DYNAMICS AND STRUCTURAL PLASTICITY
Descriptor: 2-HYDROXYETHYL DISULFIDE, BENZENE, CHLORIDE ION, ...
Authors:Morton, A, Matthews, B.W.
Deposit date:1995-04-19
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Specificity of ligand binding in a buried nonpolar cavity of T4 lysozyme: linkage of dynamics and structural plasticity.
Biochemistry, 34, 1995
188L
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SPECIFICITY OF LIGAND BINDING IN A BURIED NON-POLAR CAVITY OF T4 LYSOZYME: LINKAGE OF DYNAMICS AND STRUCTURAL PLASTICITY
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, ORTHO-XYLENE, ...
Authors:Morton, A, Matthews, B.W.
Deposit date:1995-04-19
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Specificity of ligand binding in a buried nonpolar cavity of T4 lysozyme: linkage of dynamics and structural plasticity.
Biochemistry, 34, 1995
186L
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BU of 186l by Molmil
SPECIFICITY OF LIGAND BINDING IN A BURIED NON-POLAR CAVITY OF T4 LYSOZYME: LINKAGE OF DYNAMICS AND STRUCTURAL PLASTICITY
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, N-BUTYLBENZENE, ...
Authors:Morton, A, Matthews, B.W.
Deposit date:1995-04-19
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Specificity of ligand binding in a buried nonpolar cavity of T4 lysozyme: linkage of dynamics and structural plasticity.
Biochemistry, 34, 1995
187L
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BU of 187l by Molmil
SPECIFICITY OF LIGAND BINDING IN A BURIED NON-POLAR CAVITY OF T4 LYSOZYME: LINKAGE OF DYNAMICS AND STRUCTURAL PLASTICITY
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, PARA-XYLENE, ...
Authors:Morton, A, Matthews, B.W.
Deposit date:1995-04-19
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Specificity of ligand binding in a buried nonpolar cavity of T4 lysozyme: linkage of dynamics and structural plasticity.
Biochemistry, 34, 1995
1A00
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HEMOGLOBIN (VAL BETA1 MET, TRP BETA37 TYR) MUTANT
Descriptor: HEMOGLOBIN (ALPHA CHAIN), HEMOGLOBIN (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE
Authors:Kavanaugh, J.S, Arnone, A.
Deposit date:1997-12-08
Release date:1998-03-18
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution crystal structures of human hemoglobin with mutations at tryptophan 37beta: structural basis for a high-affinity T-state,.
Biochemistry, 37, 1998
1A7J
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PHOSPHORIBULOKINASE FROM RHODOBACTER SPHEROIDES
Descriptor: PHOSPHORIBULOKINASE, SULFATE ION
Authors:Harrison, D.H.T, Runquist, J, Holub, A, Miziorko, H.
Deposit date:1998-03-16
Release date:1998-06-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of phosphoribulokinase from Rhodobacter sphaeroides reveals a fold similar to that of adenylate kinase.
Biochemistry, 37, 1998
185L
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SPECIFICITY OF LIGAND BINDING IN A BURIED NON-POLAR CAVITY OF T4 LYSOZYME: LINKAGE OF DYNAMICS AND STRUCTURAL PLASTICITY
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, INDOLE, ...
Authors:Morton, A, Matthews, B.W.
Deposit date:1995-04-19
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Specificity of ligand binding in a buried nonpolar cavity of T4 lysozyme: linkage of dynamics and structural plasticity.
Biochemistry, 34, 1995
1A26
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THE CATALYTIC FRAGMENT OF POLY(ADP-RIBOSE) POLYMERASE COMPLEXED WITH CARBA-NAD
Descriptor: CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, POLY (ADP-RIBOSE) POLYMERASE
Authors:Ruf, A, Schulz, G.E.
Deposit date:1998-01-16
Release date:1998-05-27
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The mechanism of the elongation and branching reaction of poly(ADP-ribose) polymerase as derived from crystal structures and mutagenesis.
J.Mol.Biol., 278, 1998

218853

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