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4O7P
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BU of 4o7p by Molmil
Crystal structure of Mycobacterium tuberculosis maltose kinase MaK complexed with maltose
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Maltokinase, SULFATE ION, ...
Authors:Li, J, Guan, X.T, Rao, Z.H.
Deposit date:2013-12-26
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Homotypic dimerization of a maltose kinase for molecular scaffolding.
Sci Rep, 4, 2014
3UMO
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BU of 3umo by Molmil
Crystal structure of the Phosphofructokinase-2 from Escherichia coli in complex with Potassium
Descriptor: 6-phosphofructokinase isozyme 2, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Pereira, H.M, Caniuguir, A, Baez, M, Cabrera, R, Garratt, R.C, Babul, J.
Deposit date:2011-11-14
Release date:2012-11-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:A Ribokinase Family Conserved Monovalent Cation Binding Site Enhances the MgATP-induced Inhibition in E. coli Phosphofructokinase-2
Biophys.J., 105, 2013
4OKH
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BU of 4okh by Molmil
Crystal structure of calpain-3 penta-EF-hand domain
Descriptor: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, CALCIUM ION, Calpain-3
Authors:Karunan Partha, S, Ravulapalli, R, Campbell, R.L, Allingham, J.S, Davies, P.L.
Deposit date:2014-01-22
Release date:2014-05-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of calpain-3 penta-EF-hand (PEF) domain - a homodimerized PEF family member with calcium bound at the fifth EF-hand.
Febs J., 281, 2014
7R86
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BU of 7r86 by Molmil
Structure of mouse BAI1 (ADGRB1) in complex with mouse Nogo receptor (RTN4R)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-AMINOBENZOIC ACID, ...
Authors:Miao, Y, Jude, K.M, Garcia, K.C.
Deposit date:2021-06-26
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:RTN4/NoGo-receptor binding to BAI adhesion-GPCRs regulates neuronal development.
Cell, 184, 2021
6DMF
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BU of 6dmf by Molmil
Bacteroides ovatus mixed-linkage glucan utilization locus (MLGUL) SGBP-A with cellohexaose
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Koropatkin, N.M, Bahr, C.M.
Deposit date:2018-06-05
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Surface glycan-binding proteins are essential for cereal beta-glucan utilization by the human gut symbiont Bacteroides ovatus.
Cell.Mol.Life Sci., 76, 2019
2GDM
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BU of 2gdm by Molmil
LEGHEMOGLOBIN (OXY)
Descriptor: LEGHEMOGLOBIN (OXY), OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Harutyunyan, E.H, Safonova, T.N, Kuranova, I.P, Popov, A.N, Teplyakov, A.V, Obmolova, G.V, Rusakov, A.A, Dodson, G.G, Wilson, J.C, Perutz, M.F.
Deposit date:1994-09-14
Release date:1995-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structure of Deoxy-and Oxy-Leghaemoglobin from Lupin
J.Mol.Biol., 251, 1995
4EZ6
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BU of 4ez6 by Molmil
Bacillus DNA Polymerase I Large Fragment Complex 1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*GP*CP*GP*AP*GP*TP*CP*AP*GP*G)-3'), ...
Authors:Wang, W, Beese, L.S.
Deposit date:2012-05-02
Release date:2013-07-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structures of a High-fidelity DNA Polymerase
to be published
3H6T
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BU of 3h6t by Molmil
Crystal structure of the iGluR2 ligand-binding core (S1S2J-N754S) in complex with glutamate and cyclothiazide at 2.25 A resolution
Descriptor: ACETATE ION, CACODYLATE ION, CYCLOTHIAZIDE, ...
Authors:Hald, H, Gajhede, M, Kastrup, J.S.
Deposit date:2009-04-24
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Distinct structural features of cyclothiazide are responsible for effects on peak current amplitude and desensitization kinetics at iGluR2.
J.Mol.Biol., 391, 2009
4FDL
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BU of 4fdl by Molmil
Crystal structure of Caspase-7
Descriptor: Caspase-7
Authors:Kabaleeswaran, V.
Deposit date:2012-05-28
Release date:2012-08-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:A class of allosteric caspase inhibitors identified by high-throughput screening.
Mol.Cell, 47, 2012
4F4K
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BU of 4f4k by Molmil
DNA Polymerase I Large Fragment Complex 6
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*TP*CP*GP*AP*GP*TP*CP*AP*GP*G)-3'), ...
Authors:Wang, W, Beese, L.S.
Deposit date:2012-05-10
Release date:2013-07-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of a High-fidelity DNA Polymerase
to be published
6D6U
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BU of 6d6u by Molmil
Human GABA-A receptor alpha1-beta2-gamma2 subtype in complex with GABA and flumazenil, conformation A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, GAMMA-AMINO-BUTANOIC ACID, ...
Authors:Zhu, S, Noviello, C.M, Teng, J, Walsh Jr, R.M, Kim, J.J, Hibbs, R.E.
Deposit date:2018-04-22
Release date:2018-06-27
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite:Structure of a human synaptic GABAAreceptor.
Nature, 559, 2018
6YU2
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BU of 6yu2 by Molmil
Crystal structure of MhsT in complex with L-isoleucine
Descriptor: ISOLEUCINE, SODIUM ION, Sodium-dependent transporter, ...
Authors:Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P.
Deposit date:2020-04-25
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition.
Embo J., 40, 2021
9FB2
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BU of 9fb2 by Molmil
Gcase in complex with small molecule inhibitor 1
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Tisi, D, Cleasby, A.
Deposit date:2024-05-11
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 2024
4FFU
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BU of 4ffu by Molmil
CRYSTAL STRUCTURE OF putative MaoC-like (monoamine oxidase-like) protein, similar to NodN from Sinorhizo Bium meliloti 1021
Descriptor: CHLORIDE ION, oxidase
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-06-01
Release date:2012-06-13
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:CRYSTAL STRUCTURE OF putative MaoC-like (monoamine oxidase-like) protein, similar to NodN from Sinorhizo Bium meliloti 1021
To be Published
4O1L
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BU of 4o1l by Molmil
Human Adenosine Kinase in complex with inhibitor
Descriptor: 5-ethynyl-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Adenosine kinase, MAGNESIUM ION
Authors:Brynda, J, Dostal, J, Pichova, I, Hodcek, M.
Deposit date:2013-12-16
Release date:2014-11-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Inhibition of Mycobacterial and Human Adenosine Kinase by 7-Substituted 7-(Het)aryl-7-deazaadenine Ribonucleosides
J.Med.Chem., 57, 2014
4V0C
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BU of 4v0c by Molmil
Crystal Structure of the Kv7.1 proximal C-terminal Domain in Complex with Calmodulin
Descriptor: CALCIUM ION, CALMODULIN, POTASSIUM VOLTAGE-GATED CHANNEL SUBFAMILY KQT MEMBER 1, ...
Authors:Sachyani, D, Hirsch, J.A.
Deposit date:2014-09-14
Release date:2014-11-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structural Basis of a Kv7.1 Potassium Channel Gating Module: Studies of the Intracellular C-Terminal Domain in Complex with Calmodulin.
Structure, 22, 2014
1VKQ
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BU of 1vkq by Molmil
A re-determination of the structure of the triple mutant (K53,56,120M) of phospholipase A2 at 1.6A resolution using sulphur-SAS at 1.54A wavelength
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Sekar, K, Velmurugan, D, Rajakannan, V, Yamane, T, Dauter, M, Dauter, Z.
Deposit date:2004-06-12
Release date:2004-08-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A redetermination of the structure of the triple mutant (K53,56,120M) of phospholipase A2 at 1.6 A resolution using sulfur-SAS at 1.54 A wavelength.
Acta Crystallogr.,Sect.D, 60, 2004
4F80
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BU of 4f80 by Molmil
Crystal Structure of the human BTN3A1 ectodomain
Descriptor: Butyrophilin subfamily 3 member A1
Authors:Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J.
Deposit date:2012-05-16
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.944 Å)
Cite:The molecular basis for modulation of human V(gamma)9V(delta)2 T cell responses by CD277/Butyrophilin-3 (BTN3A)-specific antibodies
J.Biol.Chem., 287, 2012
8RWZ
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BU of 8rwz by Molmil
Open non-crosslinked structure Brd4BD2-MZ1-(NEDD8)-CRL2VHL
Descriptor: (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Cullin-2, ...
Authors:Ciulli, A, Crowe, C, Nakacone, M.A.
Deposit date:2024-02-05
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Open non-crosslinked structure Brd4BD2-MZ1-(NEDD8)-CRL2VHL
To Be Published
8XBS
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BU of 8xbs by Molmil
C. elegans apo-SID1 structure
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gong, D.S.
Deposit date:2023-12-07
Release date:2024-06-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.21 Å)
Cite:Structural basis for double-stranded RNA recognition by SID1.
Nucleic Acids Res., 52, 2024
9BRD
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BU of 9brd by Molmil
Synaptic Vesicle V-ATPase with synaptophysin and SidK, State 3
Descriptor: (7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Coupland, C.E, Rubinstein, J.L.
Deposit date:2024-05-11
Release date:2024-06-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:High-resolution electron cryomicroscopy of V-ATPase in native synaptic vesicles.
Science, 2024
8RX0
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BU of 8rx0 by Molmil
(NEDD8)-CRL2VHL-MZ1-Brd4BD2-Ub(G76S, K48C)-UBE2R1(C93K, S138C, C191S, C223S)-Ub
Descriptor: (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Cullin-2, Elongin-B, ...
Authors:Crowe, C, Nakasone, M.A.
Deposit date:2024-02-05
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:(NEDD8)-CRL2VHL-MZ1-Brd4BD2-Ub(G76S, K48C)-UBE2R1(C93K, S138C, C191S, C223S)-Ub
To Be Published
4F3Y
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BU of 4f3y by Molmil
X-Ray Crystal Structure of Dihydrodipicolinate reductase from Burkholderia thailandensis
Descriptor: CHLORIDE ION, Dihydrodipicolinate reductase, SODIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-05-09
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
4F4E
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BU of 4f4e by Molmil
Crystal structure of Aromatic-amino-acid aminotransferase from Burkholderia pseudomallei covalently bound to pyridoxal phosphate
Descriptor: 1,2-ETHANEDIOL, Aromatic-amino-acid aminotransferase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-05-10
Release date:2012-05-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Aromatic-amino-acid aminotransferase from Burkholderia pseudomallei covalently bound to pyridoxal phosphate
To be Published
4EZJ
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BU of 4ezj by Molmil
Potent and Selective Inhibitors of PI3K-delta: Obtaining Isoform Selectivity from the Affinity Pocket and Tryptophan Shelf
Descriptor: 2-(1-{[2-(5-fluoro-1H-indol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Murray, J.M.
Deposit date:2012-05-02
Release date:2013-04-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Potent and selective inhibitors of PI3K-delta: obtaining isoform selectivity from the affinity pocket and tryptophan shelf
Bioorg.Med.Chem.Lett., 22, 2012

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