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4D3C
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BU of 4d3c by Molmil
Crystal structure of the NK1 domain of HGF in complex with anti-HGF monoclonal antibody SFN68.
Descriptor: HEPATOCYTE GROWTH FACTOR, SFN68 FAB
Authors:Kang, Y.J, Kim, K.L, Cho, H.S, Chung, J.H.
Deposit date:2014-10-21
Release date:2016-01-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:A mechanistic basis for converting a receptor tyrosine kinase agonist to an antagonist.
to be published
7AU7
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BU of 7au7 by Molmil
Crystal structure of Nod Factor Perception ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Serine/threonine receptor-like kinase NFP, ...
Authors:Gysel, K, Blaise, M, Andersen, K.R.
Deposit date:2020-11-02
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.547 Å)
Cite:Kinetic proofreading of lipochitooligosaccharides determines signal activation of symbiotic plant receptors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AXU
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BU of 7axu by Molmil
Structure of WDR5:CS-VIP8 cocrystal after illumination in situ
Descriptor: WD repeat-containing protein 5
Authors:Werel, L, Essen, L.-O.
Deposit date:2020-11-10
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
7B0B
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BU of 7b0b by Molmil
Fab HbnC3t1p1_C6 bound to SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, IGK@ protein, ...
Authors:Borenstein-Katz, A, Diskin, R.
Deposit date:2020-11-19
Release date:2021-12-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Somatic hypermutation introduces bystander mutations that prepare SARS-CoV-2 antibodies for emerging variants.
Immunity, 56, 2023
3VKP
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BU of 3vkp by Molmil
Assimilatory nitrite reductase (Nii3) - NO2 complex from tobbaco leaf analysed with low X-ray dose
Descriptor: CHLORIDE ION, IRON/SULFUR CLUSTER, NITRITE ION, ...
Authors:Nakano, S, Takahashi, M, Sakamoto, A, Morikawa, H, Katayanagi, K.
Deposit date:2011-11-20
Release date:2012-04-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The reductive reaction mechanism of tobacco nitrite reductase derived from a combination of crystal structures and ultraviolet-visible microspectroscopy
Proteins, 80, 2012
3IVY
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BU of 3ivy by Molmil
Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP125, p212121 crystal form
Descriptor: Cytochrome P450 CYP125, PROTOPORPHYRIN IX CONTAINING FE
Authors:McLean, K.J, Levy, C, Munro, A.W, Leys, D.
Deposit date:2009-09-02
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.352 Å)
Cite:The Structure of Mycobacterium tuberculosis CYP125: molecular basis for cholesterol binding in a P450 needed for host infection.
J.Biol.Chem., 284, 2009
3IW2
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BU of 3iw2 by Molmil
Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP125 in complex with econazole
Descriptor: 4-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, Cytochrome P450 CYP125, PROTOPORPHYRIN IX CONTAINING FE
Authors:McLean, K.J, Levy, C, Munro, A.W, Leys, D.
Deposit date:2009-09-02
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The Structure of Mycobacterium tuberculosis CYP125: molecular basis for cholesterol binding in a P450 needed for host infection.
J.Biol.Chem., 284, 2009
7QUR
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BU of 7qur by Molmil
SARS-CoV-2 Spike with ethylbenzamide-tri-iodo Siallyllactose, C3 symmetry
Descriptor: 2,3,5-tris(iodanyl)benzamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Naismith, J.H, Yang, Y, Liu, J.W.
Deposit date:2022-01-18
Release date:2022-06-01
Last modified:2022-08-03
Method:ELECTRON MICROSCOPY (2.27 Å)
Cite:Pathogen-sugar interactions revealed by universal saturation transfer analysis.
Science, 377, 2022
7QUS
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BU of 7qus by Molmil
SARS-CoV-2 Spike, C3 symmetry
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ...
Authors:Naismith, J.H, Yang, Y, Liu, J.W.
Deposit date:2022-01-18
Release date:2022-06-08
Last modified:2022-08-03
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:Pathogen-sugar interactions revealed by universal saturation transfer analysis.
Science, 377, 2022
7PAZ
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BU of 7paz by Molmil
REDUCED MUTANT P80I PSEUDOAZURIN FROM A. FAECALIS
Descriptor: COPPER (II) ION, PSEUDOAZURIN
Authors:Adman, E.T, Libeu, C.A.P.
Deposit date:1997-02-21
Release date:1997-08-20
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Site-directed mutants of pseudoazurin: explanation of increased redox potentials from X-ray structures and from calculation of redox potential differences.
Biochemistry, 36, 1997
7Q52
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BU of 7q52 by Molmil
Crystal structure of S/T protein kinase PknG from Mycobacterium tuberculosis in complex with inhibitor L2W
Descriptor: 2-azanyl-3-(4-fluorophenyl)carbonyl-indolizine-1-carboxamide, FE (III) ION, SODIUM ION, ...
Authors:Defelipe, L.A, Burastero, O, Bento, I, Garcia-Alai, M.M.
Deposit date:2021-11-02
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Cosolvent Sites-Based Discovery of Mycobacterium Tuberculosis Protein Kinase G Inhibitors.
J.Med.Chem., 65, 2022
7QXJ
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BU of 7qxj by Molmil
Solution structure of Tk-hefu-11
Descriptor: Tk-hefu-11
Authors:Mineev, K.S, Lushpa, V.A, Vassilevski, A.A, Gigolaev, A.M.
Deposit date:2022-01-26
Release date:2022-09-21
Last modified:2022-11-16
Method:SOLUTION NMR
Cite:Artificial pore blocker acts specifically on voltage-gated potassium channel isoform K V 1.6.
J.Biol.Chem., 298, 2022
8CX0
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BU of 8cx0 by Molmil
Cryo-EM structure of human APOBEC3G/HIV-1 Vif/CBFbeta/ELOB/ELOC monomeric complex
Descriptor: Core-binding factor subunit beta, DNA dC->dU-editing enzyme APOBEC-3G, Elongin-B, ...
Authors:Li, Y, Langley, C, Azumaya, C.M, Echeverria, I, Chesarino, N.M, Emerman, M, Cheng, Y, Gross, J.D.
Deposit date:2022-05-19
Release date:2023-02-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:The structural basis for HIV-1 Vif antagonism of human APOBEC3G.
Nature, 615, 2023
8CX2
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BU of 8cx2 by Molmil
Cryo-EM structure of human APOBEC3G/HIV-1 Vif/CBFbeta/ELOB/ELOC dimeric complex in State 2
Descriptor: Core-binding factor subunit beta, DNA dC->dU-editing enzyme APOBEC-3G, Elongin-B, ...
Authors:Li, Y, Langley, C, Azumaya, C.M, Echeverria, I, Chesarino, N.M, Emerman, M, Cheng, Y, Gross, J.D.
Deposit date:2022-05-19
Release date:2023-02-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The structural basis for HIV-1 Vif antagonism of human APOBEC3G.
Nature, 615, 2023
8CX1
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BU of 8cx1 by Molmil
Cryo-EM structure of human APOBEC3G/HIV-1 Vif/CBFbeta/ELOB/ELOC dimeric complex in State 1
Descriptor: Core-binding factor subunit beta, DNA dC->dU-editing enzyme APOBEC-3G, Elongin-B, ...
Authors:Li, Y, Langley, C, Azumaya, C.M, Echeverria, I, Chesarino, N.M, Emerman, M, Cheng, Y, Gross, J.D.
Deposit date:2022-05-19
Release date:2023-02-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The structural basis for HIV-1 Vif antagonism of human APOBEC3G.
Nature, 615, 2023
4HUP
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BU of 4hup by Molmil
Structure of ricin A chain bound with N-(N-(pterin-7-yl)carbonylglycyl)-L-phenylalanyl)-L-phenylalanine
Descriptor: (2S)-2-[[(2S)-2-[2-[(2-azanyl-4-oxidanylidene-1H-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid, MALONIC ACID, Ricin, ...
Authors:Jasheway, K.R, Monzingo, A.F, Saito, R, Pruet, J.M, Manzano, L.A, Wiget, P.A, Anslyn, E.V, Robertus, J.D.
Deposit date:2012-11-02
Release date:2012-12-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Peptide-conjugated pterins as inhibitors of ricin toxin A.
J.Med.Chem., 56, 2013
7QC5
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BU of 7qc5 by Molmil
Crystal structure of human wild type transthyretin in complex with (3,4-dihydroxy-5-nitrophenyl)-(3-fluoro-5-hydroxyphenyl)methanone compound
Descriptor: (3-fluoranyl-5-oxidanyl-phenyl)-[3-nitro-4,5-bis(oxidanyl)phenyl]methanone, Transthyretin
Authors:Varejao, N, Pinheiro, F, Pallares, I, Ventura, S, Reverter, D.
Deposit date:2021-11-22
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Development of a Highly Potent Transthyretin Amyloidogenesis Inhibitor: Design, Synthesis, and Evaluation.
J.Med.Chem., 65, 2022
6YYE
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BU of 6yye by Molmil
TREM2 extracellular domain (19-131) in complex with single-chain variable fragment (scFv-2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, TREM2 Single chain variable 2, Triggering receptor expressed on myeloid cells 2
Authors:Szykowska, A, Preger, C, Krojer, T, Mukhopadhyay, S.M.M, McKinley, G, Graslund, S, Wigren, E, Persson, H, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Di Daniel, E, Burgess-Brown, N, Bullock, A.
Deposit date:2020-05-04
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain.
Structure, 29, 2021
3OCH
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BU of 3och by Molmil
Chemically Self-assembled Antibody Nanorings (CSANs): Design and Characterization of an Anti-CD3 IgM Biomimetic
Descriptor: (2S,2'S)-5,5'-(nonane-1,9-diyldiimino)bis(2-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}-5-oxopentanoic acid) (non-preferred name), CHLORIDE ION, Dihydrofolate reductase, ...
Authors:Cody, V.
Deposit date:2010-08-10
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Chemically Self-Assembled Antibody Nanorings (CSANs): Design and Characterization of an Anti-CD3 IgM Biomimetic.
J.Am.Chem.Soc., 132, 2010
4D9R
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BU of 4d9r by Molmil
Inhibiting Alternative Pathway Complement Activation by Targeting the Exosite on Factor D
Descriptor: CHLORIDE ION, Complement factor D, Fab heavy chain, ...
Authors:Murray, J.M, Wiesmann, C.
Deposit date:2012-01-11
Release date:2012-02-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Inhibiting alternative pathway complement activation by targeting the factor d exosite.
J.Biol.Chem., 287, 2012
8JCJ
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BU of 8jcj by Molmil
The crystal structure of SARS-CoV-2 main protease in complex with Compound 18
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Zhao, Y, Zhu, Y, Rao, Z.
Deposit date:2023-05-11
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The crystal structure of SARS-CoV-2 main protease in complex with Compound 18
To Be Published
8G59
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BU of 8g59 by Molmil
Cryo-EM structure of the TUG891 bound GPR120-Giq complex
Descriptor: 3-{4-[(4-fluoro-4'-methyl[1,1'-biphenyl]-2-yl)methoxy]phenyl}propanoic acid, Free fatty acid receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Mao, C, Xiao, P, Tao, X, Qin, J, He, Q, Zhang, C, Yu, X, Zhang, Y, Sun, J.
Deposit date:2023-02-12
Release date:2023-03-08
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Unsaturated bond recognition leads to biased signal in a fatty acid receptor.
Science, 380, 2023
8Q18
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BU of 8q18 by Molmil
The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide
Descriptor: 1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
Authors:Leitans, J, Tars, K.
Deposit date:2023-07-31
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
8Q19
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BU of 8q19 by Molmil
The Crystal Structure of Human Carbonic Anhydrase IX in Complex with Sulfonamide
Descriptor: 2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
Authors:Leitans, J, Tars, K.
Deposit date:2023-07-31
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023
8Q1A
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BU of 8q1a by Molmil
The Crystal Structure of Human Carbonic Anhydrase IX in Complex with inhibitor
Descriptor: 1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ...
Authors:Leitans, J, Tars, K.
Deposit date:2023-07-31
Release date:2023-11-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Basis of Saccharin Derivative Inhibition of Carbonic Anhydrase IX.
Chemmedchem, 18, 2023

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