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5E9L
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BU of 5e9l by Molmil
Crystal Structure of BAZ2B bromodomain in complex with fragment F103
Descriptor: 1H-indazol-6-amine, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Lolli, G, Caflisch, A.
Deposit date:2015-10-15
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography.
Acs Chem.Biol., 11, 2016
2WZK
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BU of 2wzk by Molmil
Structure of the Cul5 N-terminal domain at 2.05A resolution.
Descriptor: 1,2-ETHANEDIOL, CULLIN-5
Authors:Muniz, J.R.C, Ayinampudi, V, Zhang, Y, Babon, J.J, Chaikuad, A, Krojer, T, Pike, A.C.W, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bullock, A.N.
Deposit date:2009-11-30
Release date:2009-12-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Molecular Architecture of the Ankyrin Socs Box Family of Cul5-Dependent E3 Ubiquitin Ligases
J.Mol.Biol., 425, 2013
5E0L
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BU of 5e0l by Molmil
LC8 - Chica (415-424) Complex
Descriptor: Dynein light chain 1, cytoplasmic, Protein Chica peptide, ...
Authors:Clark, S.A, Barbar, E.B, Karplus, P.A.
Deposit date:2015-09-29
Release date:2015-12-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:The Anchored Flexibility Model in LC8 Motif Recognition: Insights from the Chica Complex.
Biochemistry, 55, 2016
1JMF
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BU of 1jmf by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1997-09-13
Release date:1998-01-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase.
J.Mol.Biol., 276, 1998
6WUK
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BU of 6wuk by Molmil
Crystal structure of mouse DXO in complex with CoA
Descriptor: COENZYME A, Decapping and exoribonuclease protein
Authors:Doamekpor, S.K, Tong, L.
Deposit date:2020-05-04
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:DXO/Rai1 enzymes remove 5'-end FAD and dephospho-CoA caps on RNAs.
Nucleic Acids Res., 48, 2020
6WME
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BU of 6wme by Molmil
Human Sun2-KASH3 complex
Descriptor: Nesprin-3, POTASSIUM ION, SUN domain-containing protein 2
Authors:Cruz, V.E, Schwartz, T.U.
Deposit date:2020-04-21
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural Analysis of Different LINC Complexes Reveals Distinct Binding Modes.
J.Mol.Biol., 432, 2020
1PUT
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BU of 1put by Molmil
AN NMR-DERIVED MODEL FOR THE SOLUTION STRUCTURE OF OXIDIZED PUTIDAREDOXIN, A 2FE, 2-S FERREDOXIN FROM PSEUDOMONAS
Descriptor: FE2/S2 (INORGANIC) CLUSTER, PUTIDAREDOXIN
Authors:Pochapsky, T.C, Ye, X.M, Ratnaswamy, G, Lyons, T.A.
Deposit date:1994-07-09
Release date:1994-09-30
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:An NMR-derived model for the solution structure of oxidized putidaredoxin, a 2-Fe, 2-S ferredoxin from Pseudomonas.
Biochemistry, 33, 1994
1JMH
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BU of 1jmh by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1997-09-13
Release date:1998-01-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase.
J.Mol.Biol., 276, 1998
6WQV
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BU of 6wqv by Molmil
GH5-4 broad specificity endoglucanase from Ruminococcus champanellensis with bound cellotriose
Descriptor: 1,2-ETHANEDIOL, Endoglucanase, NITRATE ION, ...
Authors:Bianchetti, C.M, Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G.
Deposit date:2020-04-29
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis.
J.Biol.Chem., 295, 2020
1JMI
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BU of 1jmi by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1997-09-13
Release date:1998-01-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase.
J.Mol.Biol., 276, 1998
6WXY
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BU of 6wxy by Molmil
crystal structure of cA6-bound Card1
Descriptor: Card1, cA6
Authors:Rostol, J, Xie, W, Patel, D.J, Marraffini, L.
Deposit date:2020-05-12
Release date:2020-12-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Card1 nuclease provides defence during type III CRISPR immunity.
Nature, 590, 2021
6WY9
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BU of 6wy9 by Molmil
Tcur3481-Tcur3483 steroid ACAD G363A variant
Descriptor: Acyl-CoA dehydrogenase domain protein Tcur3481, Acyl-CoA dehydrogenase domain protein Tcur3483, CHLORIDE ION, ...
Authors:Kimber, M.S, Stirling, A.J, Seah, S.Y.K.
Deposit date:2020-05-12
Release date:2020-10-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Key Glycine in Bacterial Steroid-Degrading Acyl-CoA Dehydrogenases Allows Flavin-Ring Repositioning and Modulates Substrate Side Chain Specificity.
Biochemistry, 59, 2020
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:2024-10-16
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
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
2VNS
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BU of 2vns by Molmil
Crystal Structure of the Membrane Proximal Oxidoreductase Domain of Human Steap3, the Dominant Ferric Reductase of the Erythroid Transferrin Cycle
Descriptor: CITRIC ACID, METALLOREDUCTASE STEAP3
Authors:Sendamarai, A.K, Ohgami, R.S, Fleming, M.D, Lawrence, C.M.
Deposit date:2008-02-07
Release date:2008-05-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the Membrane Proximal Oxidoreductase Domain of Human Steap3, the Dominant Ferrireductase of the Erythroid Transferrin Cycle
Proc.Natl.Acad.Sci.USA, 105, 2008
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
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
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:2024-10-16
Method:X-RAY DIFFRACTION (2.04 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
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
5ENM
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BU of 5enm by Molmil
Compound 10
Descriptor: (2~{R},4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine, Beta-secretase 1, GLYCEROL, ...
Authors:Lewis, H.A.
Deposit date:2015-11-09
Release date:2016-10-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents.
Acs Med.Chem.Lett., 7, 2016
5ENV
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BU of 5env by Molmil
YEAST ALCOHOL DEHYDROGENASE WITH BOUND COENZYME
Descriptor: Alcohol dehydrogenase 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL, ...
Authors:Plapp, B.V, Charlier Jr, H.A, Ramaswamy, S.
Deposit date:2015-11-09
Release date:2015-11-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mechanistic implications from structures of yeast alcohol dehydrogenase complexed with coenzyme and an alcohol.
Arch.Biochem.Biophys., 591, 2015
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
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
5EIJ
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BU of 5eij by Molmil
Carbonic Anhydrase II in complex with Sulfonamide Inhibitor
Descriptor: 1-(3-iodanylphenyl)-3-(4-sulfamoylphenyl)thiourea, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Lomelino, C.L, Mahon, B.P, McKenna, R.
Deposit date:2015-10-29
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Kinetic and X-ray crystallographic investigations on carbonic anhydrase isoforms I, II, IX and XII of a thioureido analog of SLC-0111.
Bioorg. Med. Chem., 24, 2016

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