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7OV9
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BU of 7ov9 by Molmil
Heterodimeric tRNA-Guanine Transglycosylase from mouse, apo-structure
Descriptor: HEXAETHYLENE GLYCOL, Queuine tRNA-ribosyltransferase accessory subunit 2, Queuine tRNA-ribosyltransferase catalytic subunit 1, ...
Authors:Sebastiani, M, Heine, A, Reuter, K.
Deposit date:2021-06-14
Release date:2022-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Biochemical Investigation of the Heterodimeric Murine tRNA-Guanine Transglycosylase.
Acs Chem.Biol., 17, 2022
7OVS
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BU of 7ovs by Molmil
Heterodimeric murine tRNA-guanine transglycosylase in the presence of Anderson-Evans type (TEW) and Strandberg type polyoxometalate (POM)
Descriptor: 6-tungstotellurate(VI), Queuine tRNA-ribosyltransferase accessory subunit 2, Queuine tRNA-ribosyltransferase catalytic subunit 1, ...
Authors:Sebastiani, M, Heine, A, Reuter, K.
Deposit date:2021-06-15
Release date:2022-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Biochemical Investigation of the Heterodimeric Murine tRNA-Guanine Transglycosylase.
Acs Chem.Biol., 17, 2022
4GXY
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BU of 4gxy by Molmil
RNA structure
Descriptor: Adenosylcobalamin, Adenosylcobalamin riboswitch, IRIDIUM HEXAMMINE ION, ...
Authors:Serganov, A, Peselis, A.
Deposit date:2012-09-04
Release date:2012-10-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural insights into ligand binding and gene expression control by an adenosylcobalamin riboswitch.
Nat.Struct.Mol.Biol., 19, 2012
7OWZ
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BU of 7owz by Molmil
Heterodimeric murine tRNA-guanine transglycosylase in complex with queuine and in the presence of Anderson-Evans type (TEW) and Strandberg type polyoxometalate (POM)
Descriptor: 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, 6-tungstotellurate(VI), Queuine tRNA-ribosyltransferase accessory subunit 2, ...
Authors:Sebastiani, M, Heine, A, Reuter, K.
Deposit date:2021-06-21
Release date:2022-07-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Biochemical Investigation of the Heterodimeric Murine tRNA-Guanine Transglycosylase.
Acs Chem.Biol., 17, 2022
2VA7
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BU of 2va7 by Molmil
X-ray crystal structure of beta secretase complexed with compound 27
Descriptor: (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION
Authors:Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L.L, Patel, S, Spear, N, Tian, G.
Deposit date:2007-08-30
Release date:2007-11-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency.
J.Med.Chem., 50, 2007
1S4I
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BU of 1s4i by Molmil
Crystal structure of a SOD-like protein from Bacillus subtilis
Descriptor: CHLORIDE ION, ZINC ION, superoxide dismutase-like protein yojM
Authors:Banci, L, Bertini, I, Calderone, V, Cramaro, F, Del Conte, R, Fantoni, A, Mangani, S, Quattrone, A, Viezzoli, M.S.
Deposit date:2004-01-16
Release date:2005-04-26
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A prokaryotic superoxide dismutase paralog lacking two Cu ligands: from largely unstructured in solution to ordered in the crystal.
Proc.Natl.Acad.Sci.Usa, 102, 2005
6WT6
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BU of 6wt6 by Molmil
Structure of a metazoan TIR-STING receptor from C. gigas
Descriptor: Metazoan TIR-STING fusion
Authors:Morehouse, B.R, Govande, A.A, Millman, A, Keszei, A.F.A, Lowey, B, Ofir, G, Shao, S, Sorek, R, Kranzusch, P.J.
Deposit date:2020-05-01
Release date:2020-09-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:STING cyclic dinucleotide sensing originated in bacteria.
Nature, 586, 2020
2ECT
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BU of 2ect by Molmil
Solution structure of the Zinc finger, C3HC4 type (RING finger) domain of RING finger protein 126
Descriptor: RING finger protein 126, ZINC ION
Authors:Abe, H, Miyamoto, K, Tochio, N, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-02-14
Release date:2008-02-19
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the Zinc finger, C3HC4 type (RING finger) domain of RING finger protein 126
To be Published
1UMB
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BU of 1umb by Molmil
branched-chain 2-oxo acid dehydrogenase (E1) from Thermus thermophilus HB8 in holo-form
Descriptor: 2-oxo acid dehydrogenase alpha subunit, 2-oxo acid dehydrogenase beta subunit, MAGNESIUM ION, ...
Authors:Nakai, T, Nakagawa, N, Maoka, N, Masui, R, Kuramitsu, S, Kamiya, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-09-25
Release date:2004-03-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ligand-induced Conformational Changes and a Reaction Intermediate in Branched-chain 2-Oxo Acid Dehydrogenase (E1) from Thermus thermophilus HB8, as Revealed by X-ray Crystallography
J.Mol.Biol., 337, 2004
3AF3
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BU of 3af3 by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with GMPPCP and Pantothenate
Descriptor: GLYCEROL, PANTOTHENOIC ACID, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
Authors:Chetnani, B, Kumar, P, Surolia, A, Vijayan, M.
Deposit date:2010-02-22
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:M. tuberculosis pantothenate kinase: dual substrate specificity and unusual changes in ligand locations
J.Mol.Biol., 400, 2010
9J1A
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BU of 9j1a by Molmil
Structure of ConA without ligand
Descriptor: CALCIUM ION, Concanavalin-A, GLYCEROL, ...
Authors:Li, L, Chen, G.
Deposit date:2024-08-04
Release date:2024-12-04
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structure of ConA without ligand
To Be Published
2O19
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BU of 2o19 by Molmil
Structure of E. coli topoisomersae III in complex with an 8-base single stranded oligonucleotide. Frozen in glycerol at pH 5.5
Descriptor: 5'-D(*CP*GP*CP*AP*AP*CP*TP*T)-3', ACETIC ACID, CHLORIDE ION, ...
Authors:Changela, A, DiGate, R, Mondragon, A.
Deposit date:2006-11-28
Release date:2007-04-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural Studies of E. coli Topoisomerase III-DNA Complexes Reveal a Novel Type IA Topoisomerase-DNA Conformational Intermediate.
J.Mol.Biol., 368, 2007
7D6J
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BU of 7d6j by Molmil
Human serum albumin complexed with benzbromarone
Descriptor: Serum albumin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone
Authors:Kawai, A, Yamasaki, K.
Deposit date:2020-09-30
Release date:2021-02-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Interaction of Benzbromarone with Subdomains IIIA and IB/IIA on Human Serum Albumin as the Primary and Secondary Binding Regions.
Mol Pharm., 18, 2021
3PV6
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BU of 3pv6 by Molmil
Crystal structure of NKp30 bound to its ligand B7-H6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ig-like domain-containing protein DKFZp686O24166/DKFZp686I21167, ...
Authors:Li, Y.
Deposit date:2010-12-06
Release date:2011-03-16
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the activating natural killer cell receptor NKp30 bound to its ligand B7-H6 reveals basis for tumor cell recognition in humans
to be published
8F93
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BU of 8f93 by Molmil
WDR5 covalently modified at Y228 by (R)-2-SF
Descriptor: 3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride, CHLORIDE ION, GLYCEROL, ...
Authors:Taunton, J, Craven, G.B, Chen, Y.
Deposit date:2022-11-23
Release date:2023-05-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Direct mapping of ligandable tyrosines and lysines in cells with chiral sulfonyl fluoride probes.
Nat.Chem., 15, 2023
4FP4
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BU of 4fp4 by Molmil
Crystal structure of isoprenoid synthase a3mx09 (target efi-501993) from pyrobaculum calidifontis
Descriptor: GERAN-8-YL GERAN, Polyprenyl synthetase, UNKNOWN ATOM OR ION, ...
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-06-21
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
2VA5
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BU of 2va5 by Molmil
X-ray crystal structure of beta secretase complexed with compound 8c
Descriptor: 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION
Authors:Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L, Patel, S, Spear, N, Tian, G.
Deposit date:2007-08-30
Release date:2007-11-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency.
J.Med.Chem., 50, 2007
8HK7
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BU of 8hk7 by Molmil
Structure of PKD2-F604P (Polycystin-2, TRPP2) with ML-SA1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione, CALCIUM ION, ...
Authors:Chen, M.Y, Su, Q, Wang, Z.F, Yu, Y.
Deposit date:2022-11-25
Release date:2024-03-27
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Molecular and structural basis of the dual regulation of the polycystin-2 ion channel by small-molecule ligands.
Proc.Natl.Acad.Sci.USA, 121, 2024
7BFM
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BU of 7bfm by Molmil
Structure of the M198F M298F double mutant of the Streptomyces coelicolor small laccase T1 copper site
Descriptor: COPPER (II) ION, Putative copper oxidase, TETRAETHYLENE GLYCOL
Authors:Zovo, K, Majumdar, S, Lukk, T.
Deposit date:2021-01-04
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substitution of the Methionine Axial Ligand of the T1 Copper for the Fungal-like Phenylalanine Ligand (M298F) Causes Local Structural Perturbations that Lead to Thermal Instability and Reduced Catalytic Efficiency of the Small Laccase from Streptomyces coelicolor A3(2).
Acs Omega, 7, 2022
3PV7
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BU of 3pv7 by Molmil
Crystal structure of NKp30 ligand B7-H6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ig-like domain-containing protein DKFZp686O24166/DKFZp686I21167
Authors:Li, Y.
Deposit date:2010-12-06
Release date:2011-03-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the activating natural killer cell receptor NKp30 bound to its ligand B7-H6 reveals basis for tumor cell recognition in humans
to be published
8I5I
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BU of 8i5i by Molmil
Crystal structure of SARS-CoV-2 delta variant spike receptor-binding domain (RBD) in complex with NCV2SG53 Fab
Descriptor: Fab Heavy chain, Fab Light chain, Spike protein S1
Authors:Yamamoto, A, Higashiura, A.
Deposit date:2023-01-25
Release date:2023-04-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural basis of spike RBM-specific human antibodies counteracting broad SARS-CoV-2 variants.
Commun Biol, 6, 2023
8I5H
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BU of 8i5h by Molmil
Crystal structure of SARS-CoV-2 delta variant spike receptor-binding domain (RBD) in complex with NCV2SG48 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Heavy chain, Fab Light chain, ...
Authors:Yamamoto, A, Higashiura, A.
Deposit date:2023-01-25
Release date:2023-04-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural basis of spike RBM-specific human antibodies counteracting broad SARS-CoV-2 variants.
Commun Biol, 6, 2023
9GVZ
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BU of 9gvz by Molmil
M2 mutant (R111K:Y134F:T54V:R132Q:P39Y:R59Y) of human cellular retinoic acid binding protein II - 1j conjugate
Descriptor: Cellular retinoic acid-binding protein 2, methyl (~{Z})-3-(4-ethynoxy-3,5-dimethoxy-phenyl)-2-methyl-prop-2-enoate
Authors:Tassone, G, Pozzi, C.
Deposit date:2024-09-26
Release date:2025-03-26
Last modified:2025-04-02
Method:X-RAY DIFFRACTION (3 Å)
Cite:Morita-Baylis-Hillman Adduct Chemistry as a Tool for the Design of Lysine-Targeted Covalent Ligands.
Acs Med.Chem.Lett., 16, 2025
3MXT
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BU of 3mxt by Molmil
Crystal Structure of Pantoate-Beta-alanine Ligase from Campylobacter jejuni
Descriptor: CHLORIDE ION, FORMIC ACID, GLYCEROL, ...
Authors:Kim, Y, Zhou, M, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-05-07
Release date:2010-06-16
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Pantoate-Beta-alanine Ligase from Campylobacter jejuni
To be Published
3IRP
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BU of 3irp by Molmil
Crystal structure of functional region of UafA from Staphylococcus saprophyticus at 1.50 angstrom resolution
Descriptor: GLYCEROL, POTASSIUM ION, Uro-adherence factor A
Authors:Tanaka, Y, Shouji, Y, Matsuoka, E, Kuroda, M, Tanaka, I, Yao, M.
Deposit date:2009-08-24
Release date:2010-09-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the functional region of Uro-adherence factor A from Staphylococcus saprophyticus reveals participation of the B domain in ligand binding
Protein Sci., 20, 2011

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