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8V63
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BU of 8v63 by Molmil
R207A mutant of human Slo1 in presence of EDTA - activated VSD
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CHOLESTEROL, Calcium-activated potassium channel subunit alpha-1, ...
Authors:Pal, K, Kallure, G.S, Chowdhury, S.
Deposit date:2023-12-01
Release date:2024-12-11
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:R207A mutant of human Slo1 in presence of EDTA - activated VSD
To Be Published
2QL1
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BU of 2ql1 by Molmil
Structural Characterization of a Mutated, ADCC-Enhanced Human Fc Fragment
Descriptor: IGHM protein, ZINC ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Oganesyan, V, Wu, H, Dall'Acqua, W.F.
Deposit date:2007-07-12
Release date:2008-04-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.534 Å)
Cite:Structural characterization of a mutated, ADCC-enhanced human Fc fragment
Mol.Immunol., 45, 2008
2QWL
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BU of 2qwl by Molmil
Crystal structure of bovine hsc70 (1-394aa)in the ADP state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Heat shock cognate 71 kDa protein, ...
Authors:Jiang, J, Maes, E.G, Wang, L, Taylor, A.B, Hinck, A.P, Lafer, E.M, Sousa, R.
Deposit date:2007-08-10
Release date:2007-12-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis of J cochaperone binding and regulation of Hsp70.
Mol.Cell, 28, 2007
6NKV
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BU of 6nkv by Molmil
Ternary complex crystal structure of DNA polymerase Beta with "hot-spot sequence" with beta-gamma CHF analogue of dGTP
Descriptor: 2'-DEOXY-5'-O-[(R)-{[(R)-[(R)-FLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]GUANOSINE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*AP*CP*AP*AP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2019-01-07
Release date:2020-01-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography.
Biochemistry, 59, 2020
2R23
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BU of 2r23 by Molmil
Crystal structure of S25-2 Fab in complex with Kdo analogues
Descriptor: D-glycero-alpha-D-talo-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, Fab, antibody fragment (IgG1k), ...
Authors:Brooks, C.L, Evans, S.V.
Deposit date:2007-08-24
Release date:2008-12-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Exploration of specificity in germline monoclonal antibody recognition of a range of natural and synthetic epitopes.
J.Mol.Biol., 377, 2008
6NVA
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BU of 6nva by Molmil
Crystal structure of Escherichia coli dihydrodipicolinate synthase and propionate covalently bound to K161.
Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, GLYCEROL, SODIUM ION
Authors:Thomas, L.M, Chooback, L.
Deposit date:2019-02-04
Release date:2019-02-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of Escherichia coli dihydrodipicolinate synthase and propionate covalently bound to K161.
To Be Published
6V28
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BU of 6v28 by Molmil
Complex of double mutant (T89V,K162T) of E. coli L-asparaginase II with L-Asp
Descriptor: GLYCEROL, IMIDAZOLE, L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-11-22
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mechanism of Catalysis by l-Asparaginase.
Biochemistry, 59, 2020
4NY5
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BU of 4ny5 by Molmil
X-ray structure of the adduct formed between hen egg white lysozyme and NAMI-A
Descriptor: CHLORIDE ION, Lysozyme C, RUTHENIUM ION, ...
Authors:Messori, L, Merlino, A.
Deposit date:2013-12-10
Release date:2014-03-26
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Ruthenium metalation of proteins: the X-ray structure of the complex formed between NAMI-A and hen egg white lysozyme.
Dalton Trans, 43, 2014
4NSM
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BU of 4nsm by Molmil
crystal structure of the streptococcal collagen-like protein 2 globular domain from invasive M3-type group A Streptococcus
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Collagen-like protein SclB, SULFATE ION
Authors:Berisio, R, Squeglia, F, Lukomski, S, Bachert, B.
Deposit date:2013-11-28
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Crystal Structure of the Streptococcal Collagen-like Protein 2 Globular Domain from Invasive M3-type Group A Streptococcus Shows Significant Similarity to Immunomodulatory HIV Protein gp41.
J.Biol.Chem., 289, 2014
9BLJ
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BU of 9blj by Molmil
Crystal structure of a serine protease inhibitor HPI from Hevea brasiliensis
Descriptor: Protease inhibitor HPI
Authors:Rodriguez-Romero, A, Hernandez-Santoyo, A.
Deposit date:2024-04-30
Release date:2025-04-30
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Understanding the structure and function of HPI, a rubber tree serine protease inhibitor, and its interaction with subtilisin.
Biochem.Biophys.Res.Commun., 763, 2025
6NX9
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BU of 6nx9 by Molmil
ECAII(D90T,K162T) MUTANT IN COMPLEX WITH CITRATE AT PH 7
Descriptor: ACETIC ACID, GLYCEROL, IMIDAZOLE, ...
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-02-08
Release date:2019-08-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019
6NN0
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BU of 6nn0 by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine and fragment degradation product B9D
Descriptor: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, ...
Authors:Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
Deposit date:2019-01-14
Release date:2020-01-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.343 Å)
Cite:Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine and B9D
To Be Published
9D18
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BU of 9d18 by Molmil
Ca2+ bound open-inactivated hSlo1 + beta2N-beta4 channel in detergent-conformation 2 of inactivating domain
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, CHOLESTEROL, ...
Authors:Agarwal, S, Nimigean, C.
Deposit date:2024-08-07
Release date:2025-03-05
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Ball-and-chain inactivation of a human large conductance calcium-activated potassium channel.
Nat Commun, 16, 2025
1GQB
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BU of 1gqb by Molmil
HUMAN MIR-RECEPTOR, REPEAT 11
Descriptor: BROMIDE ION, CATION-INDEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR
Authors:Von Buelow, R, Dauter, M, Dauter, Z, Rajashankar, K.R, Grimme, S, Schmidt, B, Von Figura, K, Uson, I.
Deposit date:2001-11-22
Release date:2002-12-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Locating the Anomalous Scatterer Substructures in Halide and Sulfur Phasing
Acta Crystallogr.,Sect.D, 59, 2003
9D19
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BU of 9d19 by Molmil
Ca2+ bound open-inactivated hSlo1 + beta2N-beta4 channel in detergent-conformation 3 of inactivating domain
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, CHOLESTEROL, ...
Authors:Agarwal, S, Nimigean, C.
Deposit date:2024-08-07
Release date:2025-03-05
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Ball-and-chain inactivation of a human large conductance calcium-activated potassium channel.
Nat Commun, 16, 2025
1HLZ
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BU of 1hlz by Molmil
CRYSTAL STRUCTURE OF THE ORPHAN NUCLEAR RECEPTOR REV-ERB(ALPHA) DNA-BINDING DOMAIN BOUND TO ITS COGNATE RESPONSE ELEMENT
Descriptor: 5'-D(*CP*AP*AP*CP*TP*AP*GP*GP*TP*CP*AP*CP*TP*AP*GP*GP*TP*CP*AP*G)-3', 5'-D(*CP*TP*GP*AP*CP*CP*TP*AP*GP*TP*GP*AP*CP*CP*TP*AP*GP*TP*TP*G)-3', ORPHAN NUCLEAR RECEPTOR NR1D1, ...
Authors:Sierk, M.L, Zhao, Q, Rastinejad, F.
Deposit date:2000-12-04
Release date:2001-11-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:DNA Deformability as a Recognition Feature in the RevErb Response Element
Biochemistry, 40, 2001
6OII
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BU of 6oii by Molmil
Structure of Aedes aegypti OBP22 in the complex with arachidonic acid
Descriptor: 1,2-ETHANEDIOL, AAEL005772-PA, ARACHIDONIC ACID, ...
Authors:Jones, D.N, Wang, J.
Deposit date:2019-04-09
Release date:2019-05-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
4RYU
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BU of 4ryu by Molmil
Crystal Structure of C2 form of E112A Mutant of Stationary Phase Survival Protein (SurE) from Salmonella typhimurium
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5'/3'-nucleotidase SurE, GLYCEROL, ...
Authors:Mathiharan, Y.K, Murthy, M.R.N.
Deposit date:2014-12-17
Release date:2015-09-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Insights into stabilizing interactions in the distorted domain-swapped dimer of Salmonella typhimurium survival protein.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
6PTP
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BU of 6ptp by Molmil
Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate mimic KVS-1
Descriptor: HIV-1 Protease, N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide
Authors:Kovalevsky, A, Das, A.
Deposit date:2019-07-16
Release date:2020-06-10
Last modified:2023-10-25
Method:NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION
Cite:Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design.
Acs Omega, 5, 2020
4O03
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BU of 4o03 by Molmil
Crystal structure of Ca2+ bound prothrombin deletion mutant residues 146-167
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Prothrombin
Authors:Pozzi, N, Chen, Z, Shropshire, D.B, Pelc, L.A, Di Cera, E.
Deposit date:2013-12-13
Release date:2014-05-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:The linker connecting the two kringles plays a key role in prothrombin activation.
Proc.Natl.Acad.Sci.USA, 111, 2014
4RR6
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BU of 4rr6 by Molmil
N-terminal editing domain of threonyl-tRNA synthetase from Aeropyrum pernix with L-Ser3AA (snapshot 1)
Descriptor: Probable threonine--tRNA ligase 2, SERINE-3'-AMINOADENOSINE
Authors:Ahmad, S, Muthukumar, S, Yerabham, A.S.K, Kamarthapu, V, Sankaranarayanan, R.
Deposit date:2014-11-06
Release date:2015-07-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme.
Nat Commun, 6, 2015
2QTF
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BU of 2qtf by Molmil
Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus
Descriptor: ACETATE ION, CADMIUM ION, GTP-binding protein, ...
Authors:Wu, H, Sun, L, Brouns, S.J, Fu, S, Rao, Z, Van der Oost, J.
Deposit date:2007-08-02
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus.
To be Published
6NXZ
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BU of 6nxz by Molmil
Crystal structure of trimethoprim-resistant type II dihydrofolate reductase in complex with a bisbenzimidazole inhibitor
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-[4-[(2~{R})-4-[4-(6-carboxy-1~{H}-benzimidazol-2-yl)phenoxy]-2-oxidanyl-butoxy]phenyl]-1~{H}-benzimidazole-5-carboxylic acid, Dihydrofolate reductase type 2, ...
Authors:Yachnin, B.J, Berghuis, A.M.
Deposit date:2019-02-10
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-Based Design of Dimeric Bisbenzimidazole Inhibitors to an Emergent Trimethoprim-Resistant Type II Dihydrofolate Reductase Guides the Design of Monomeric Analogues.
Acs Omega, 4, 2019
2QKH
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BU of 2qkh by Molmil
Crystal structure of the extracellular domain of human GIP receptor in complex with the hormone GIP
Descriptor: Cyclic 2,3-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-2,6-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-3-O-methyl-alpha-D-glucopyranose, D(-)-TARTARIC ACID, Glucose-dependent insulinotropic polypeptide, ...
Authors:Parthier, C, Kleinschmidt, M, Neumann, P, Rudolph, R, Manhart, S, Schlenzig, D, Fanghanel, J, Rahfeld, J.-U, Demuth, H.-U, Stubbs, M.T.
Deposit date:2007-07-11
Release date:2007-08-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the incretin-bound extracellular domain of a G protein-coupled receptor
Proc.Natl.Acad.Sci.Usa, 104, 2007
2QLQ
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BU of 2qlq by Molmil
Crystal structure of SRC kinase domain with covalent inhibitor RL3
Descriptor: (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Michalczyk, A, Rode, H.B, Gruetter, C, Rauh, D.
Deposit date:2007-07-13
Release date:2008-03-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural insights into how irreversible inhibitors can overcome drug resistance in EGFR.
Bioorg.Med.Chem., 16, 2008

238582

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