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4NRR
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BU of 4nrr by Molmil
Crystal Structure of Glycoside Hydrolase Family 5 Mannosidase (E202A mutant) from Rhizomucor miehei in complex with mannosyl-fructose
Descriptor: Exo-beta-1,4-mannosidase, beta-D-mannopyranose-(1-4)-beta-D-fructofuranose
Authors:Jiang, Z.Q, Zhou, P, Yang, S.Q, Liu, Y, Yan, Q.J.
Deposit date:2013-11-27
Release date:2014-11-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into the substrate specificity and transglycosylation activity of a fungal glycoside hydrolase family 5 beta-mannosidase.
Acta Crystallogr.,Sect.D, 70, 2014
8K79
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BU of 8k79 by Molmil
Crystal structure of c-SRC kinase domain bound by TPX-0022
Descriptor: Elzovantinib, Proto-oncogene tyrosine-protein kinase Src
Authors:Qu, L.Z, Chen, Y.H.
Deposit date:2023-07-26
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insight into the macrocyclic inhibitor TPX-0022 of c-Met and c-Src.
Comput Struct Biotechnol J, 21, 2023
8K78
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BU of 8k78 by Molmil
Crystal structure of cMET kinase domain bound by TPX-0022
Descriptor: Elzovantinib, Hepatocyte growth factor receptor
Authors:Qu, L.Z, Chen, Y.H.
Deposit date:2023-07-26
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural insight into the macrocyclic inhibitor TPX-0022 of c-Met and c-Src.
Comput Struct Biotechnol J, 21, 2023
4Y1A
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BU of 4y1a by Molmil
immune complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FS17_alpha, FS17_beta, ...
Authors:Beringer, D.X, Vivian, J.P, Reid, H.H, Rossjohn, J.
Deposit date:2015-02-07
Release date:2015-09-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (4 Å)
Cite:T cell receptor reversed polarity recognition of a self-antigen major histocompatibility complex.
Nat.Immunol., 16, 2015
8K3C
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BU of 8k3c by Molmil
Nipah virus Attachment glycoprotein with 41-6 antibody fragment
Descriptor: Glycoprotein G, Heavy chain of 41-6 Fab fragments, Light chain of 41-6 Fab fragment
Authors:Sun, M.M.
Deposit date:2023-07-15
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Potent human neutralizing antibodies against Nipah virus derived from two ancestral antibody heavy chains.
Nat Commun, 15, 2024
4ZF7
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BU of 4zf7 by Molmil
Crystal structure of ferret interleukin-2
Descriptor: DI(HYDROXYETHYL)ETHER, Interleukin 2, PENTAETHYLENE GLYCOL, ...
Authors:Ren, B, Newman, J, McKinstry, W.J, Adams, T.E.
Deposit date:2015-04-21
Release date:2015-11-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.893 Å)
Cite:Structural and functional characterisation of ferret interleukin-2.
Dev.Comp.Immunol., 55, 2015
4Y3U
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BU of 4y3u by Molmil
The structure of phospholamban bound to the calcium pump SERCA1a
Descriptor: Cardiac phospholamban, POTASSIUM ION, Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
Authors:Hurley, T.D.
Deposit date:2015-02-10
Release date:2015-02-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:The structural basis for phospholamban inhibition of the calcium pump in sarcoplasmic reticulum.
J. Biol. Chem., 288, 2013
8SLN
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BU of 8sln by Molmil
Crystal structure of Deinococcus geothermalis PprI complexed with ssDNA
Descriptor: DNA (29-MER), MANGANESE (II) ION, Zn dependent hydrolase fused to HTH domain, ...
Authors:Zhao, Y, Lu, H.
Deposit date:2023-04-23
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Deinococcus protease PprI senses DNA damage by directly interacting with single-stranded DNA.
Nat Commun, 15, 2024
8SLM
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BU of 8slm by Molmil
Crystal structure of Deinococcus geothermalis PprI
Descriptor: MANGANESE (II) ION, SULFATE ION, Zn dependent hydrolase fused to HTH domain, ...
Authors:Zhao, Y, Lu, H.
Deposit date:2023-04-23
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:The Deinococcus protease PprI senses DNA damage by directly interacting with single-stranded DNA.
Nat Commun, 15, 2024
8T1X
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BU of 8t1x by Molmil
T4 highly immunogenic outer capsid protein C-terminal domain bound to the vertex-proximal gp23* capsomer of the isometric head in two preferred orientations
Descriptor: Highly immunogenic outer capsid protein, Mature major capsid protein gp23*
Authors:Fokine, A, Rao, V.B.
Deposit date:2023-06-04
Release date:2023-07-19
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure and Function of Hoc-A Novel Environment Sensing Device Encoded by T4 and Other Bacteriophages.
Viruses, 15, 2023
8T9R
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BU of 8t9r by Molmil
T4 highly immunogenic outer capsid protein C-terminal domain bound to a vertex-proximal gp23* capsomer of the prolate capsid in two preferred orientations.
Descriptor: Highly immunogenic outer capsid protein, Mature major capsid protein
Authors:Fokine, A, Rao, V.B.
Deposit date:2023-06-24
Release date:2023-07-19
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure and Function of Hoc-A Novel Environment Sensing Device Encoded by T4 and Other Bacteriophages.
Viruses, 15, 2023
4ZQA
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BU of 4zqa by Molmil
Crystal Structure of the Sds3 Dimerization Domain
Descriptor: Sin3 histone deacetylase corepressor complex component SDS3
Authors:Chan, C.W, Mondragon, A, Clark, M, Radhakrishnan, I.
Deposit date:2015-05-08
Release date:2015-07-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into the assembly of the histone deacetylase-associated Sin3L/Rpd3L corepressor complex.
Proc.Natl.Acad.Sci.USA, 112, 2015
5ZXD
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BU of 5zxd by Molmil
Crystal structure of ATP-bound human ABCF1
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family F member 1
Authors:Qu, L, Jiang, Y, Liu, Z.J.
Deposit date:2018-05-18
Release date:2018-07-25
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (2.288 Å)
Cite:Crystal Structure of ATP-Bound Human ABCF1 Demonstrates a Unique Conformation of ABC Proteins
Structure, 26, 2018
1C6Z
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BU of 1c6z by Molmil
ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP.
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, PROTEIN (PROTEASE)
Authors:Munshi, S.
Deposit date:1999-12-28
Release date:2000-12-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors as a result of concerted structural change in the 80s loop of the protease.
Acta Crystallogr.,Sect.D, 56, 2000
1C70
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BU of 1c70 by Molmil
ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP.
Descriptor: N-[2(R)-HYDROXY-1(S)-INDANYL]-2(R)-PHENYLMETHYL-4(S)-HYDROXY-5-[4-[2-BENZOFURANYLMETHYL]-2(S)-[TERT-BUTYLAMINOCARBONYL]-PIPERAZINYL]-PENTANEAMIDE, PROTEIN (PROTEASE)
Authors:Munshi, S.
Deposit date:1999-12-29
Release date:2000-12-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors as a result of concerted structural change in the 80s loop of the protease.
Acta Crystallogr.,Sect.D, 56, 2000
3KWW
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BU of 3kww by Molmil
Crystal structure of the 'restriction triad' mutant of HLA B*3508, beta-2-microglobulin and EBV peptide
Descriptor: ACETIC ACID, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Archbold, J.K, Tynan, F.E, Gras, S, Rossjohn, J.
Deposit date:2009-12-01
Release date:2010-06-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Hard wiring of T cell receptor specificity for the major histocompatibility complex is underpinned by TCR adaptability
Proc.Natl.Acad.Sci.USA, 2010
5U1R
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BU of 5u1r by Molmil
Structure of human MR1-diclofenac in complex with human MAIT A-F7 TCR
Descriptor: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, ACETATE ION, Beta-2-microglobulin, ...
Authors:Keller, A.N, Rossjohn, J.
Deposit date:2016-11-28
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
5U16
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BU of 5u16 by Molmil
Structure of human MR1-2-OH-1-NA in complex with human MAIT A-F7 TCR
Descriptor: 2-hydroxynaphthalene-1-carbaldehyde, Beta-2-microglobulin, CHLORIDE ION, ...
Authors:Keller, A.N, Birkinshaw, R.W, Rossjohn, J.
Deposit date:2016-11-27
Release date:2017-02-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
5U6Q
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BU of 5u6q by Molmil
Structure of human MR1-3-F-SA in complex with human MAIT A-F7 TCR
Descriptor: 3-methanoyl-2-oxidanyl-benzoic acid, ACETATE ION, Beta-2-microglobulin, ...
Authors:Keller, A.N, Rossjohn, J.
Deposit date:2016-12-08
Release date:2017-02-08
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
3MGT
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BU of 3mgt by Molmil
Crystal structure of a H5-specific CTL epitope variant derived from H5N1 influenza virus in complex with HLA-A*0201
Descriptor: 10-meric peptide from Hemagglutinin, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Sun, Y, Liu, J, Yang, M, Gao, F, Zhou, J, Kitamura, Y.
Deposit date:2010-04-07
Release date:2010-05-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Identification and structural definition of H5-specific CTL epitopes restricted by HLA-A*0201 derived from the H5N1 subtype of influenza A viruses
J.Gen.Virol., 91, 2010
5U17
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BU of 5u17 by Molmil
Structure of human MR1-DA-6-FP in complex with human MAIT A-F7 TCR
Descriptor: 2,4-diaminopteridine-6-carbaldehyde, ACETATE ION, Beta-2-microglobulin, ...
Authors:Keller, A.N, Rossjohn, J.
Deposit date:2016-11-28
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
5U2V
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BU of 5u2v by Molmil
Structure of human MR1-HMB in complex with human MAIT A-F7 TCR
Descriptor: 2-hydroxy-5-methoxybenzaldehyde, Beta-2-microglobulin, GLYCEROL, ...
Authors:Keller, A.N, Rossjohn, J.
Deposit date:2016-12-01
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
5W0E
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BU of 5w0e by Molmil
CREBBP bromodomain in complex with Cpd19 (3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide)
Descriptor: 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide, CREB-binding protein
Authors:Murray, J.M.
Deposit date:2017-05-30
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
3MGO
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BU of 3mgo by Molmil
Crystal structure of a H5-specific CTL epitope derived from H5N1 influenza virus in complex with HLA-A*0201
Descriptor: 10-meric peptide from Hemagglutinin, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Sun, Y, Liu, J, Yang, M, Gao, F, Zhou, J, Kitamura, Y.
Deposit date:2010-04-07
Release date:2010-05-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Identification and structural definition of H5-specific CTL epitopes restricted by HLA-A*0201 derived from the H5N1 subtype of influenza A viruses
J.Gen.Virol., 91, 2010
6BB1
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BU of 6bb1 by Molmil
Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one
Descriptor: (2R)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, L-lactate dehydrogenase A chain, LACTIC ACID, ...
Authors:Ultsch, M, Eigenbrot, C.
Deposit date:2017-10-16
Release date:2018-10-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase
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