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1W1Y
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Crystal structure of S. marcescens chitinase B in complex with the cyclic dipeptide inhibitor cyclo-(L-Tyr-L-Pro) at 1.85 A resolution
Descriptor: CHITINASE B, CYCLO-(L-TYROSINE-L-PROLINE) INHIBITOR, GLYCEROL, ...
Authors:Houston, D.R, Synstad, B, Eijsink, V.G.H, Eggleston, I, Van Aalten, D.M.F.
Deposit date:2004-06-24
Release date:2005-01-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Based Exploration of Cyclic Dipeptide Chitinase Inhibitors
J.Med.Chem., 47, 2004
1W1P
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Crystal structure of S. marcescens chitinase B in complex with the cyclic dipeptide inhibitor cyclo-(Gly-L-Pro) at 2.1 A resolution
Descriptor: CHITINASE B, CYCLO-(GLYCINE-L-PROLINE) INHIBITOR, GLYCEROL, ...
Authors:Houston, D.R, Synstad, B, Eijsink, V.G.H, Eggleston, I, Van Aalten, D.M.F.
Deposit date:2004-06-23
Release date:2005-01-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Exploration of Cyclic Dipeptide Chitinase Inhibitors
J.Med.Chem., 47, 2004
2G97
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Crystal Structure of Visfatin/Pre-B Cell Colony Enhancing Factor 1/Nicotinamide Phosphoribosyltransferase In Complex with the Specific Inhibitor FK-866
Descriptor: (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, Nicotinamide phosphoribosyltransferase
Authors:Kim, M.-K, Eom, S.H.
Deposit date:2006-03-05
Release date:2006-08-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Visfatin/Pre-B Cell Colony-enhancing Factor 1/Nicotinamide Phosphoribosyltransferase, Free and in Complex with the Anti-cancer Agent FK-866
J.Mol.Biol., 362, 2006
2FNJ
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BU of 2fnj by Molmil
Crystal structure of a B30.2/SPRY domain-containing protein GUSTAVUS in complex with Elongin B and Elongin C
Descriptor: CG2944-PF, isoform F, Transcription elongation factor B polypeptide 1, ...
Authors:Woo, J.S, Oh, B.H.
Deposit date:2006-01-11
Release date:2006-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional insights into the B30.2/SPRY domain
Embo J., 25, 2006
6WCE
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BU of 6wce by Molmil
Structure of the periplasmic binding protein P5PA
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Pyridoxal-5-phosphate binding protein A (P5PA)
Authors:Pan, C, Zimmer, A, Shah, M, Huynh, M, Lai, C.C.L, Sit, B, Hooda, Y, Moraes, T.F.
Deposit date:2020-03-30
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.754 Å)
Cite:Actinobacillus utilizes a binding protein-dependent ABC transporter to acquire the active form of vitamin B 6 .
J.Biol.Chem., 297, 2021
8BMX
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BU of 8bmx by Molmil
Bacteroides thetaiotaomicron B12 TonB dependent transporter in complex with a surface lipoprotein
Descriptor: Putative TonB-linked outer membrane receptor, YncE family protein
Authors:Abellon-Ruiz, J, Jana, K, Silale, A, Basle, A, Kleinekathofer, U, van den Berg, B.
Deposit date:2022-11-11
Release date:2023-09-20
Method:X-RAY DIFFRACTION (3.72 Å)
Cite:BtuB TonB-dependent transporters and BtuG surface lipoproteins form stable complexes for vitamin B 12 uptake in gut Bacteroides.
Nat Commun, 14, 2023
3KQ4
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BU of 3kq4 by Molmil
Structure of Intrinsic Factor-Cobalamin bound to its receptor Cubilin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Andersen, C.B.F, Madsen, M, Moestrup, S.K, Andersen, G.R.
Deposit date:2009-11-17
Release date:2010-03-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis for receptor recognition of vitamin-B(12)-intrinsic factor complexes.
Nature, 464, 2010
3KPP
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Crystal Structure of HLA B*4405 in complex with EEYLQAFTY a self peptide from the ABCD3 protein
Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, EEYLQAFTY, ...
Authors:Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
4FNA
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BU of 4fna by Molmil
Structure of unliganded FhuD2 from Staphylococcus Aureus
Descriptor: Ferric hydroxamate receptor 2, SULFATE ION
Authors:Shilton, B.H, Heinrichs, D.E.
Deposit date:2012-06-19
Release date:2013-06-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal and solution structure analysis of FhuD2 from Staphylococcus aureus in multiple unliganded conformations and bound to ferrioxamine-B.
Biochemistry, 53, 2014
3KPQ
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Crystal Structure of HLA B*4405 in complex with EEYLKAWTF, a mimotope
Descriptor: Beta-2-microglobulin, EEYLKAWTF, mimotope peptide, ...
Authors:Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
3KPL
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BU of 3kpl by Molmil
Crystal Structure of HLA B*4402 in complex with EEYLQAFTY a self peptide from the ABCD3 protein
Descriptor: Beta-2-microglobulin, EEYLQAFTY, self peptide from the ATP binding cassette protein ABCD3, ...
Authors:Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
3KPS
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BU of 3kps by Molmil
Crystal Structure of the LC13 TCR in complex with HLA B*4405 bound to EEYLQAFTY a self peptide from the ABCD3 protein
Descriptor: Beta-2-microglobulin, EEYLQAFTY, self peptide from the ATP binding cassette protein ABCD3, ...
Authors:Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
3KPR
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BU of 3kpr by Molmil
Crystal Structure of the LC13 TCR in complex with HLA B*4405 bound to EEYLKAWTF a mimotope
Descriptor: Beta-2-microglobulin, EEYLKAWTF, mimotope peptide, ...
Authors:Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
3KPM
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BU of 3kpm by Molmil
Crystal Structure of HLA B*4402 in complex with EEYLKAWTF, a mimotope
Descriptor: Beta-2-microglobulin, EEYLKAWTF, mimotope peptide, ...
Authors:Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
7S7F
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BU of 7s7f by Molmil
STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH DOT1L(998-1006) PHOSPHOPEPTIDE
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ...
Authors:Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-09-15
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
7RZJ
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BU of 7rzj by Molmil
CRYSTAL STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PHOSPHOPEPTIDE
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ...
Authors:Patskovsky, Y, Patskovska, L, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-08-27
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
7S7E
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BU of 7s7e by Molmil
STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH DOT1L(998-1006) PEPTIDE
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ...
Authors:Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-09-15
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
6E9B
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Bacteroides ovatus mixed-linkage glucan utilization locus (MLGUL) SGBP-B in complex with mixed-linkage heptasaccharide
Descriptor: Mixed-linkage glucan utilization locus (MLGUL) SGBP-B, SULFATE ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
Authors:Tamura, K, Gardill, B.R, Brumer, H, Van Petegem, F.
Deposit date:2018-07-31
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.15 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
7S8A
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BU of 7s8a by Molmil
STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PHOSPHOPEPTIDE, CUBIC CRYSTAL FORM
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ACETATE ION, Beta-2-microglobulin, ...
Authors:Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-09-17
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
7S7D
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BU of 7s7d by Molmil
STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH SYNTHETIC SULFO-MLL PEPTIDE ANALOG
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-09-15
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
7RZD
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BU of 7rzd by Molmil
CRYSTAL STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PEPTIDE
Descriptor: Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ...
Authors:Patskovsky, Y, Patskovska, L, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-08-27
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
7S8E
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BU of 7s8e by Molmil
STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PHOSPHOPEPTIDE AND BOUND GLYCEROL
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Patskovsky, Y, Nyovanie, S, Patskovska, L, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-09-17
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
7S79
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BU of 7s79 by Molmil
STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH SYNTHETIC PHOSPHONO-MLL PEPTIDE ANALOG
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-09-15
Release date:2022-11-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
7S8F
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BU of 7s8f by Molmil
STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PEPTIDE AND BOUND GLYCEROL
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Patskovsky, Y, Nyovanie, S, Patskovska, L, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-09-17
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
7Z1W
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BU of 7z1w by Molmil
PARP15 catalytic domain in complex with OUL246
Descriptor: 6-chloranyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
Authors:Maksimainen, M.M, Lehtio, L.
Deposit date:2022-02-25
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:[1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes.
J.Med.Chem., 66, 2023

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