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4CW1
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BU of 4cw1 by Molmil
COMPLEX OF A B14 CHICKEN MHC CLASS I MOLECULE AND A 9MER CHICKEN PEPTIDE
Descriptor: BETA-2-MICROGLOBULIN, MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I GLYCOPROTEIN HAPLOTYPE B14, PEPTIDE
Authors:Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M.
Deposit date:2014-03-31
Release date:2015-05-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding.
Elife, 4, 2015
4D0D
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COMPLEX OF A B2 CHICKEN MHC CLASS I MOLECULE AND A 8MER CHICKEN PEPTIDE
Descriptor: BETA-2-MICROGLOBULIN, MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I GLYCOPROTEIN HAPLOTYPE B2, SLP-76 ADAPTOR PROTEIN
Authors:Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M.
Deposit date:2014-04-25
Release date:2015-05-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding.
Elife, 4, 2015
1JNJ
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BU of 1jnj by Molmil
NMR solution structure of the human beta2-microglobulin
Descriptor: beta2-microglobulin
Authors:Verdone, G, Corazza, A, Viglino, P, Pettirossi, F, Giorgetti, S, Mangione, P, Andreola, A, Stoppini, M, Bellotti, V, Esposito, G.
Deposit date:2001-07-24
Release date:2002-02-27
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:The solution structure of human beta2-microglobulin reveals the prodromes of its amyloid transition.
Protein Sci., 11, 2002
2W9E
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BU of 2w9e by Molmil
Structure of ICSM 18 (anti-Prp therapeutic antibody) Fab fragment complexed with human Prp fragment 119-231
Descriptor: ICSM 18-ANTI-PRP THERAPEUTIC FAB HEAVY CHAIN, ICSM 18-ANTI-PRP THERAPEUTIC FAB LIGHT CHAIN, MAJOR PRION PROTEIN, ...
Authors:Antonyuk, S.V, Trevitt, C.R, Strange, R.W, Jackson, G.S, Sangar, D, Batchelor, M, Jones, S, Georgiou, T, Cooper, S, Fraser, C, Khalili-Shirazi, A, Clarke, A.R, Hasnain, S.S, Collinge, J.
Deposit date:2009-01-23
Release date:2009-02-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Human Prion Protein Bound to a Therapeutic Antibody.
Proc.Natl.Acad.Sci.USA, 106, 2009
1CD1
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BU of 1cd1 by Molmil
CD1(MOUSE) ANTIGEN PRESENTING MOLECULE
Descriptor: CD1
Authors:Zeng, Z.H, Segelke, B.W, Wilson, I.A.
Deposit date:1997-04-02
Release date:1997-10-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Crystal structure of mouse CD1: An MHC-like fold with a large hydrophobic binding groove.
Science, 277, 1997
1LEK
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BU of 1lek by Molmil
Crystal Structure of H-2Kbm3 bound to dEV8
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
Authors:Luz, J.G, Huang, M, Garcia, K.C, Rudolph, M.G, Apostolopoulos, V, Teyton, L, Wilson, I.A.
Deposit date:2002-04-09
Release date:2002-06-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural comparison of allogeneic and syngeneic T cell receptor-peptide-major histocompatibility complex complexes: a buried alloreactive mutation subtly alters peptide presentation substantially increasing V(beta) Interactions.
J.Exp.Med., 195, 2002
1KBO
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BU of 1kbo by Molmil
Complex of Human recombinant NAD(P)H:Quinone Oxide reductase type 1 with 5-methoxy-1,2-dimethyl-3-(phenoxymethyl)indole-4,7-dione (ES1340)
Descriptor: 5-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-4,7-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
Authors:Faig, M, Bianchet, M.A, Amzel, L.M.
Deposit date:2001-11-06
Release date:2002-01-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Characterization of a mechanism-based inhibitor of NAD(P)H:quinone oxidoreductase 1 by biochemical, X-ray crystallographic, and mass spectrometric approaches.
Biochemistry, 40, 2001
4CFZ
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BU of 4cfz by Molmil
SAVINASE CRYSTAL STRUCTURES FOR COMBINED SINGLE CRYSTAL DIFFRACTION AND POWDER DIFFRACTION ANALYSIS
Descriptor: CALCIUM ION, SODIUM ION, SUBTILISIN SAVINASE, ...
Authors:Frankaer, C.G, Moroz, O.V, Turkenburg, J.P, Aspmo, S.I, Thymark, M, Friis, E.P, Stahla, K, Nielsen, J.E, Wilson, K.S, Harris, P.
Deposit date:2013-11-19
Release date:2014-04-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Analysis of an Industrial Production Suspension of Bacillus Lentus Subtilisin Crystals by Powder Diffraction: A Powerful Quality-Control Tool.
Acta Crystallogr.,Sect.D, 70, 2014
3NYS
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BU of 3nys by Molmil
X-ray structure of the K185A mutant of WbpE (WlbE) from pseudomonas aeruginosa in complex with PLP at 1.45 angstrom resolution
Descriptor: Aminotransferase WbpE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION
Authors:Holden, H.M, Thoden, J.B.
Deposit date:2010-07-15
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural investigation on WlaRG from Campylobacter jejuni: A sugar aminotransferase.
Protein Sci., 26, 2017
4CRY
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BU of 4cry by Molmil
Direct visualisation of strain-induced protein post-translational modification
Descriptor: ACETYL COENZYME *A, ASPARTATE 1-DECARBOXYLASE, CHLORIDE ION, ...
Authors:Monteiro, D.C.F, Patel, V, Bartlett, C.P, Grant, T.D, Nozaki, S, Gowdy, J.A, Snell, E.H, Niki, H, Pearson, A.R, Webb, M.E.
Deposit date:2014-03-02
Release date:2015-03-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Direct Visualisation of Strain-Induced Protein Post-Translational Modification
To be Published
1D6D
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BU of 1d6d by Molmil
SOLUTION DNA STRUCTURE CONTAINING (A-A)-T TRIADS INTERDIGITATED BETWEEN A-T BASE PAIRS AND GGGG TETRADS; NMR, 8 STRUCT.
Descriptor: 5'-D(*AP*AP*GP*GP*TP*TP*TP*TP*AP*AP*GP*G)-3'
Authors:Kuryavyi, V.V, Kettani, A, Wang, W, Jones, R, Patel, D.J.
Deposit date:1999-10-13
Release date:2000-01-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A diamond-shaped zipper-like DNA architecture containing triads sandwiched between mismatches and tetrads.
J.Mol.Biol., 295, 2000
2UUJ
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BU of 2uuj by Molmil
Thrombin-hirugen-gw473178 ternary complex at 1.32A resolution
Descriptor: CALCIUM ION, HIRUDIN I, HUMAN ALPHA THROMBIN, ...
Authors:Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R.
Deposit date:2007-03-03
Release date:2007-09-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:The Determination of Protonation States in Proteins.
Acta Crystallogr.,Sect.D, 63, 2007
1CT4
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BU of 1ct4 by Molmil
CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-VAL18I IN COMPLEX WITH SGPB
Descriptor: OVOMUCOID INHIBITOR, PROTEINASE B
Authors:Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G.
Deposit date:1999-08-18
Release date:2000-01-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB.
Protein Sci., 9, 2000
4D0C
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BU of 4d0c by Molmil
COMPLEX OF A B21 CHICKEN MHC CLASS I MOLECULE AND A 10MER CHICKEN PEPTIDE
Descriptor: 1,2-ETHANEDIOL, 10MER PEPTIDE, BETA-2-MICROGLOBULIN, ...
Authors:Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M.
Deposit date:2014-04-25
Release date:2015-05-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding.
Elife, 4, 2015
2UUK
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BU of 2uuk by Molmil
Thrombin-hirugen-gw420128 ternary complex at 1.39A resolution
Descriptor: CALCIUM ION, HIRUDIN I, HUMAN ALPHA THROMBIN, ...
Authors:Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R.
Deposit date:2007-03-03
Release date:2007-09-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:The Determination of Protonation States in Proteins.
Acta Crystallogr.,Sect.D, 63, 2007
4CVZ
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BU of 4cvz by Molmil
COMPLEX OF A B21 CHICKEN MHC CLASS I MOLECULE AND A 10MER CHICKEN PEPTIDE
Descriptor: 1,2-ETHANEDIOL, BETA-2-MICROGLOBULIN, MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I GLYCOPROTEIN HAPLOTYPE B21, ...
Authors:Chappell, P.E, Roversi, P, Harrison, M.C, Mears, L.E, Kaufman, J.F, Lea, S.M.
Deposit date:2014-03-31
Release date:2015-05-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Expression levels of MHC class I molecules are inversely correlated with promiscuity of peptide binding.
Elife, 4, 2015
1D3Q
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BU of 1d3q by Molmil
CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BENZYL]-2-4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL] -BENZO[B]THIOPHENE, ALPHA-THROMBIN, ...
Authors:Chirgadze, N.Y.
Deposit date:1999-09-30
Release date:2000-10-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The crystal structures of human alpha-thrombin complexed with active site-directed diamino benzo[b]thiophene derivatives: a binding mode for a structurally novel class of inhibitors.
Protein Sci., 9, 2000
1CUA
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BU of 1cua by Molmil
CUTINASE, N172K MUTANT
Descriptor: CUTINASE
Authors:Longhi, S, Cambillau, C.
Deposit date:1995-11-16
Release date:1996-07-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Dynamics of Fusarium solani cutinase investigated through structural comparison among different crystal forms of its variants.
Proteins, 26, 1996
1CUI
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BU of 1cui by Molmil
CUTINASE, S120A MUTANT
Descriptor: CUTINASE
Authors:Martinez, C, Cambillau, C.
Deposit date:1995-11-16
Release date:1996-07-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Dynamics of Fusarium solani cutinase investigated through structural comparison among different crystal forms of its variants.
Proteins, 26, 1996
1CJ1
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BU of 1cj1 by Molmil
GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN (HUMAN) COMPLEXED WITH A PHOSPHOTYROSYL DERIVATIVE
Descriptor: PROTEIN (GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2), [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)- ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER
Authors:Rahuel, J.
Deposit date:1999-04-21
Release date:1999-12-22
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-based design, synthesis, and X-ray crystallography of a high-affinity antagonist of the Grb2-SH2 domain containing an asparagine mimetic.
J.Med.Chem., 42, 1999
1CP7
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AMINOPEPTIDASE FROM STREPTOMYCES GRISEUS
Descriptor: AMINOPEPTIDASE, CALCIUM ION, ZINC ION
Authors:Gilboa, R, Greenblatt, H.M, Perach, M, Spungin-Bialik, A, Lessel, U, Schomburg, D, Blumberg, S, Shoham, G.
Deposit date:1999-06-10
Release date:2000-05-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Interactions of Streptomyces griseus aminopeptidase with a methionine product analogue: a structural study at 1.53 A resolution.
Acta Crystallogr.,Sect.D, 56, 2000
1CMV
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BU of 1cmv by Molmil
HUMAN CYTOMEGALOVIRUS PROTEASE
Descriptor: HUMAN CYTOMEGALOVIRUS PROTEASE
Authors:Shieh, H.-S, Kurumbail, R.G, Stevens, A.M, Stegeman, R.A, Sturman, E.J, Pak, J.Y, Wittwer, A.J, Palmier, M.O, Wiegand, R.C, Holwerda, B.C, Stallings, W.C.
Deposit date:1996-08-26
Release date:1997-09-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Three-dimensional structure of human cytomegalovirus protease.
Nature, 383, 1996
2VVC
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BU of 2vvc by Molmil
Aminopyrrolidine Factor Xa inhibitor
Descriptor: 5-chloro-N-[(3S,4S)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
Authors:Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W.
Deposit date:2008-06-05
Release date:2009-07-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit.
Eur.J.Med.Chem., 44, 2009
4A7I
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Factor Xa in complex with a potent 2-amino-ethane sulfonamide inhibitor
Descriptor: 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [2-(1--ISOPROPYL-PIPERIDIN-4-YLSULFAMOYL)-ETHYL]-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN XA, CALCIUM ION, ...
Authors:Nazare, M, Matter, H, Will, D.W, Wagner, M, Urmann, M, Czech, J, Schreuder, H, Bauer, A, Ritter, K, Wehner, V.
Deposit date:2011-11-14
Release date:2012-02-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment Deconstruction of Small, Potent Factor Xa Inhibitors: Exploring the Superadditivity Energetics of Fragment Linking in Protein-Ligand Complexes.
Angew.Chem.Int.Ed.Engl., 51, 2012
1CNM
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BU of 1cnm by Molmil
ENHANCEMENT OF CATALYTIC EFFICIENCY OF PROTEINASE K THROUGH EXPOSURE TO ANHYDROUS ORGANIC SOLVENT AT 70 DEGREES CELSIUS
Descriptor: ACETONITRILE, CALCIUM ION, PROTEIN (PROTEINASE K)
Authors:Gupta, M.N, Tyagi, R, Sharma, S, Karthikeyan, S, Singh, T.P.
Deposit date:1999-05-20
Release date:1999-05-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enhancement of catalytic efficiency of enzymes through exposure to anhydrous organic solvent at 70 degrees C. Three-dimensional structure of a treated serine proteinase at 2.2 A resolution.
Proteins, 39, 2000

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