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7YXB
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BU of 7yxb by Molmil
MHC-II dynamics are maintained in HLA-DR allotypes to ensure catalyzed peptide exchange
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, CLIP peptide, ...
Authors:Roske, Y, Abualrous, E.T, Freund, C.
Deposit date:2022-02-15
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.095 Å)
Cite:MHC-II dynamics are maintained in HLA-DR allotypes to ensure catalyzed peptide exchange.
Nat.Chem.Biol., 19, 2023
7Z0Q
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BU of 7z0q by Molmil
MHC-II dynamics are maintained in HLA-DR allotypes to ensure catalyzed peptide exchange
Descriptor: 1,2-ETHANEDIOL, CLIP peptide, HLA class II histocompatibility antigen, ...
Authors:Roske, Y, Abualrous, E.T, Freund, C.
Deposit date:2022-02-23
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:MHC-II dynamics are maintained in HLA-DR allotypes to ensure catalyzed peptide exchange.
Nat.Chem.Biol., 19, 2023
6RTG
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BU of 6rtg by Molmil
Crystal structure of the UDP-bound glycosyltransferase domain from the YGT toxin
Descriptor: 1,2-ETHANEDIOL, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Wirth, C, Bogdanovic, X, Kao, W.-C, Hunte, C.
Deposit date:2019-05-23
Release date:2020-03-18
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inverse control of Rab proteins byYersiniaADP-ribosyltransferase and glycosyltransferase related to clostridial glucosylating toxins.
Sci Adv, 6, 2020
5FUQ
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BU of 5fuq by Molmil
CRYSTAL STRUCTURE OF THE H80R VARIANT OF NQO1 BOUND TO DICOUMAROL
Descriptor: ACETATE ION, BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE], FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Gavira, J.A, Medina-Carmona, E, Pey, A.L.
Deposit date:2016-01-29
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Enhanced vulnerability of human proteins towards disease-associated inactivation through divergent evolution.
Hum.Mol.Genet., 26, 2017
7QAC
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BU of 7qac by Molmil
The T2 structure of polycrystalline cubic human insulin
Descriptor: Insulin A chain, Insulin B chain
Authors:Karavassili, F, Triandafillidis, D.P, Valmas, A, Spiliopoulou, M, Fili, S, Kontou, P, Bowler, M.W, Von Dreele, R.B, Fitch, A, Margiolaki, I.
Deposit date:2021-11-16
Release date:2023-06-21
Last modified:2024-02-07
Method:POWDER DIFFRACTION (2.29 Å)
Cite:The T 2 structure of polycrystalline cubic human insulin.
Acta Crystallogr D Struct Biol, 79, 2023
1UVO
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BU of 1uvo by Molmil
Structure Of The Complex Of Porcine Pancreatic Elastase In Complex With Cadmium Refined At 1.85 A Resolution (Crystal A)
Descriptor: ACETATE ION, CADMIUM ION, CHLORIDE ION, ...
Authors:Weiss, M.S, Panjikar, S, Mueller-Dieckmann, C, Tucker, P.A.
Deposit date:2004-01-21
Release date:2004-02-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:On the Influence of the Incident Photon Energy on the Radiation Damage in Crystalline Biological Samples
J.Synchrotron Radiat., 12, 2005
1UO6
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BU of 1uo6 by Molmil
PORCINE PANCREATIC ELASTASE/Xe-COMPLEX
Descriptor: CHLORIDE ION, ELASTASE 1, GLYCEROL, ...
Authors:Mueller-Dieckmann, C, Polentarutti, M, Djinovic-Carugo, K, Panjikar, S, Tucker, P.A, Weiss, M.S.
Deposit date:2003-09-16
Release date:2003-10-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:On the Routine Use of Soft X-Rays in Macromolecular Crystallography. Part II. Data-Collection Wavelength and Scaling Models
Acta Crystallogr.,Sect.D, 60, 2004
1UVP
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BU of 1uvp by Molmil
Structure Of The Complex Of Porcine Pancreatic Elastase In Complex With Cadmium Refined At 1.85 A Resolution (Crystal B)
Descriptor: ACETATE ION, CADMIUM ION, CHLORIDE ION, ...
Authors:Weiss, M.S, Panjikar, S, Mueller-Dieckmann, C, Tucker, P.A.
Deposit date:2004-01-21
Release date:2004-02-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:On the Influence of the Incident Photon Energy on the Radiation Damage in Crystalline Biological Samples
J.Synchrotron Radiat., 12, 2005
8VZ7
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BU of 8vz7 by Molmil
Crystal Structure of Human Cytochrome P450 2C9*27 (R150L) Genetic Variant in Complex with the Drug Losartan
Descriptor: Cytochrome P450 2C9, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Shah, M.B.
Deposit date:2024-02-11
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural and biophysical analysis of cytochrome P450 2C9*14 and *27 variants in complex with losartan.
J.Inorg.Biochem., 258, 2024
1AIX
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BU of 1aix by Molmil
HUMAN ALPHA-THROMBIN TERNARY COMPLEX WITH EXOSITE INHIBITOR HIRUGEN AND ACTIVE SITE INHIBITOR PHCH2OCO-D-DPA-PRO-BOROVAL
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUGEN, ...
Authors:Skordalakes, E, Dodson, G, Elgendy, S, Goodwin, C.A, Green, D, Tyrrel, R, Scully, M.F, Freyssinet, J, Kakkar, V.V, Deadman, J.
Deposit date:1997-04-30
Release date:1997-10-15
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The refined 1.9-A X-ray crystal structure of D-Phe-Pro-Arg chloromethylketone-inhibited human alpha-thrombin: structure analysis, overall structure, electrostatic properties, detailed active-site geometry, and structure-function relationships.
Protein Sci., 1, 1992
8VX0
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BU of 8vx0 by Molmil
CRYSTAL STRUCTURE OF CYP2C9*14 IN COMPLEX WITH LOSARTAN
Descriptor: Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Shah, M.B.
Deposit date:2024-02-02
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural and biophysical analysis of cytochrome P450 2C9*14 and *27 variants in complex with losartan.
J.Inorg.Biochem., 258, 2024
1AI8
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BU of 1ai8 by Molmil
HUMAN ALPHA-THROMBIN TERNARY COMPLEX WITH THE EXOSITE INHIBITOR HIRUGEN AND ACTIVE SITE INHIBITOR PHCH2OCO-D-DPA-PRO-BOROMPG
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUDIN IIIB, ...
Authors:Skordalakes, E, Dodson, G, Elgendy, S, Goodwin, C.A, Green, D, Tyrrel, R, Scully, M.F, Freyssinet, J, Kakkar, V.V, Deadman, J.
Deposit date:1997-05-01
Release date:1997-10-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The refined 1.9-A X-ray crystal structure of D-Phe-Pro-Arg chloromethylketone-inhibited human alpha-thrombin: structure analysis, overall structure, electrostatic properties, detailed active-site geometry, and structure-function relationships.
Protein Sci., 1, 1992
7N0H
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BU of 7n0h by Molmil
CryoEM structure of SARS-CoV-2 spike protein (S-6P, 2-up) in complex with sybodies (Sb45)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Jiang, J, Huang, R, Margulies, D.
Deposit date:2021-05-25
Release date:2021-06-02
Last modified:2021-10-20
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Structures of synthetic nanobody-SARS-CoV-2 receptor-binding domain complexes reveal distinct sites of interaction.
J.Biol.Chem., 297, 2021
7N0G
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BU of 7n0g by Molmil
CryoEm structure of SARS-CoV-2 spike protein (S-6P, 1-up) in complex with sybodies (Sb45)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Jiang, J, Huang, R, Margulies, D.
Deposit date:2021-05-25
Release date:2021-06-02
Last modified:2021-10-20
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Structures of synthetic nanobody-SARS-CoV-2 receptor-binding domain complexes reveal distinct sites of interaction.
J.Biol.Chem., 297, 2021
6DWF
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BU of 6dwf by Molmil
Crystal structure of complex of BBKI mutant, L55R with Bovine Trypsin
Descriptor: Cationic trypsin, Kunitz-type inihibitor
Authors:Li, M, Wlodawer, A, Gustchina, A.
Deposit date:2018-06-26
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal structures of the complex of a kallikrein inhibitor from Bauhinia bauhinioides with trypsin and modeling of kallikrein complexes.
Acta Crystallogr D Struct Biol, 75, 2019
7N7I
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BU of 7n7i by Molmil
X-ray crystal structure of Viperin-like enzyme from Trichoderma virens
Descriptor: IRON/SULFUR CLUSTER, S-ADENOSYLMETHIONINE, URIDINE 5'-TRIPHOSPHATE, ...
Authors:Grove, T.L, Almo, S.C, Bonanno, J.B, Lachowicz, J.C, Gizzi, A.G.
Deposit date:2021-06-10
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structural Insight into the Substrate Scope of Viperin and Viperin-like Enzymes from Three Domains of Life.
Biochemistry, 60, 2021
7N7H
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BU of 7n7h by Molmil
X-ray crystal structure of Viperin-like enzyme from Nematostella vectensis
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, IRON/SULFUR CLUSTER, S-ADENOSYLMETHIONINE, ...
Authors:Grove, T.L, Almo, S.C, Bonanno, J.B, Lachowicz, J.C, Gizzi, A.G.
Deposit date:2021-06-10
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structural Insight into the Substrate Scope of Viperin and Viperin-like Enzymes from Three Domains of Life.
Biochemistry, 60, 2021
6ZX6
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BU of 6zx6 by Molmil
Antiparallel basket-type G-quadruplex DNA structure formed in human Bcl-2 promoter containing 8-oxoG
Descriptor: bcl2ex-oxoG19
Authors:Bielskute, S, Plavec, J, Podbevsek, P.
Deposit date:2020-07-29
Release date:2021-03-10
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Oxidative lesions modulate G-quadruplex stability and structure in the human BCL2 promoter.
Nucleic Acids Res., 49, 2021
6ZX7
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BU of 6zx7 by Molmil
Antiparallel basket-type G-quadruplex DNA structure formed in human Bcl-2 promoter
Descriptor: bcl2ex
Authors:Bielskute, S, Plavec, J, Podbevsek, P.
Deposit date:2020-07-29
Release date:2021-03-10
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Oxidative lesions modulate G-quadruplex stability and structure in the human BCL2 promoter.
Nucleic Acids Res., 49, 2021
1MKW
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BU of 1mkw by Molmil
THE CO-CRYSTAL STRUCTURE OF UNLIGANDED BOVINE ALPHA-THROMBIN AND PRETHROMBIN-2: MOVEMENT OF THE YPPW SEGMENT AND ACTIVE SITE RESIDUES UPON LIGAND BINDING
Descriptor: ALPHA-THROMBIN, PRETHROMBIN-2
Authors:Malkowski, M.G, Edwards, B.F.P.
Deposit date:1997-03-13
Release date:1997-07-07
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The co-crystal structure of unliganded bovine alpha-thrombin and prethrombin-2: movement of the Tyr-Pro-Pro-Trp segment and active site residues upon ligand binding.
Protein Sci., 6, 1997
1ESD
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BU of 1esd by Molmil
THE MOLECULAR MECHANISM OF ENANTIORECOGNITION BY ESTERASES
Descriptor: ESTERASE, METHYLPHOSPHONIC ACID ESTER GROUP
Authors:Wei, Y, Schottel, J.L, Derewenda, U, Swenson, L, Patkar, S, Derewenda, Z.S.
Deposit date:1994-10-07
Release date:1995-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A novel variant of the catalytic triad in the Streptomyces scabies esterase.
Nat.Struct.Biol., 2, 1995
1EL4
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BU of 1el4 by Molmil
STRUCTURE OF THE CALCIUM-REGULATED PHOTOPROTEIN OBELIN DETERMINED BY SULFUR SAS
Descriptor: C2-HYDROXY-COELENTERAZINE, CHLORIDE ION, OBELIN
Authors:Liu, Z.J, Vysotski, E.S, Rose, J, Lee, J, Wang, B.C.
Deposit date:2000-03-13
Release date:2001-03-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure of the Ca2+-regulated photoprotein obelin at 1.7 A resolution determined directly from its sulfur substructure.
Protein Sci., 9, 2000
6L4S
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BU of 6l4s by Molmil
cryo-em structure of alpha-synuclein fiber mutation type E46K
Descriptor: Alpha-synuclein
Authors:Li, Y.W, Zhao, K, Liu, C, Li, X.
Deposit date:2019-10-21
Release date:2020-04-29
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Parkinson's disease associated mutation E46K of alpha-synuclein triggers the formation of a distinct fibril structure.
Nat Commun, 11, 2020
1ETS
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BU of 1ets by Molmil
REFINED 2.3 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEXES FORMED WITH THE BENZAMIDINE AND ARGININE-BASED THROMBIN INHIBITORS NAPAP, 4-TAPAP AND MQPA: A STARTING POINT FOR IMPROVING ANTITHROMBOTICS
Descriptor: 1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine, EPSILON-THROMBIN
Authors:Bode, W, Brandstetter, H.
Deposit date:1992-07-06
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics.
J.Mol.Biol., 226, 1992
1N2R
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BU of 1n2r by Molmil
A natural selected dimorphism in HLA B*44 alters self, peptide reportoire and T cell recognition.
Descriptor: ACETIC ACID, Beta-2-microglobulin, HLA DPA*0201 PEPTIDE, ...
Authors:Macdonald, W.A, Purcell, A.W, Williams, D.S, Mifsud, N, Ely, L.K, Gorman, J.J, Clements, C.S, Kjer-Nielsen, L, Koelle, D.M, Brooks, A.G, Lovrecz, G.O, Lu, L, Rossjohn, J, McCluskey, J.
Deposit date:2002-10-24
Release date:2004-03-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A naturally selected dimorphism within the HLA-B44 supertype alters class I structure, peptide repertoire, and T cell recognition.
J.Exp.Med., 198, 2003

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