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2VWN
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Aminopyrrolidine Factor Xa inhibitor
Descriptor: 5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide, 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:2008-06-26
Release date:2009-07-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit.
Eur.J.Med.Chem., 44, 2009
2V0Z
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Crystal Structure of Renin with Inhibitor 10 (Aliskiren)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALISKIREN, RENIN
Authors:Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G.
Deposit date:2007-05-21
Release date:2007-07-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
2V13
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Crystal Structure of Renin with Inhibitor 7
Descriptor: N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE, RENIN
Authors:Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G.
Deposit date:2007-05-21
Release date:2008-07-08
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
2V11
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Crystal Structure of Renin with Inhibitor 6
Descriptor: (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE, RENIN
Authors:Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G.
Deposit date:2007-05-21
Release date:2007-07-03
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
2Y44
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Crystal structure of GARP from Trypanosoma congolense
Descriptor: GLUTAMIC ACID/ALANINE-RICH PROTEIN, GLYCEROL, IODIDE ION
Authors:Loveless, B.C, Mason, J.W, Sakurai, T, Inoue, N, Razavi, M, Pearson, T.W, Boulanger, M.J.
Deposit date:2011-01-04
Release date:2011-03-30
Last modified:2012-11-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Characterization and Epitope Mapping of the Glutamic Acid/Alanine-Rich Protein from Trypanosoma Congolense: Defining Assembly on the Parasite Cell Surface.
J.Biol.Chem., 286, 2011
4UAO
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BU of 4uao by Molmil
Crystal structure of Apical Membrane Antigen 1 from Plasmodium Knowlesi in complex with an invasion inhibitory antibody
Descriptor: Apical merozoite antigen 1, immunoglobulin R31C2 VH and CH1 regions, immunoglobulin R31C2 light chain
Authors:Vulliez-Le Normand, B, Saul, F.A, Bentley, G.A.
Deposit date:2014-08-11
Release date:2015-04-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of Plasmodium knowlesi Apical Membrane Antigen 1 and Its Complex with an Invasion-Inhibitory Monoclonal Antibody.
Plos One, 10, 2015
2V10
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Crystal Structure of Renin with Inhibitor 9
Descriptor: (2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-2,8-DIMETHYLNONANAMIDE, RENIN
Authors:Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G.
Deposit date:2007-05-21
Release date:2007-07-03
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
6XRE
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BU of 6xre by Molmil
Structure of the p53/RNA polymerase II assembly
Descriptor: Cellular tumor antigen p53, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11-a, ...
Authors:Liou, S.-H, Singh, S, Singer, R.H, Coleman, R.A, Liu, W.
Deposit date:2020-07-12
Release date:2021-03-24
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structure of the p53/RNA polymerase II assembly.
Commun Biol, 4, 2021
4XK2
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BU of 4xk2 by Molmil
Crystal structure of aldo-keto reductase from Polaromonas sp. JS666
Descriptor: Aldo/keto reductase, CHLORIDE ION, SODIUM ION
Authors:Gasiorowska, O.A, Handing, K.B, Shabalin, I.G, Sroka, P, Hillerich, B.S, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2015-01-09
Release date:2015-01-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of aldo-keto reductase from Polaromonas sp. JS666
to be published
6ATZ
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HLA-DRB1*1402 in complex with citrullinated fibrinogen peptide
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta chain, ...
Authors:Ting, Y.T, Scally, S.W, Rossjohn, J.
Deposit date:2017-08-29
Release date:2017-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis for increased susceptibility of Indigenous North Americans to seropositive rheumatoid arthritis.
Ann. Rheum. Dis., 76, 2017
6ATI
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HLA-DRB1*1402 in complex with Vimentin-64Cit59-71
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:Scally, S.W, Ting, Y.T, Rossjohn, J.
Deposit date:2017-08-29
Release date:2017-09-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Molecular basis for increased susceptibility of Indigenous North Americans to seropositive rheumatoid arthritis.
Ann. Rheum. Dis., 76, 2017
6B77
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BU of 6b77 by Molmil
Structures of the two-chain human plasma factor XIIa co-crystallized with potent inhibitors
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XII, GLYCEROL, ...
Authors:Dementiev, A.A, Silva, A, Yee, C, Flavin, M.T, Partridge, J.R.
Deposit date:2017-10-03
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structures of human plasma beta-factor XIIa cocrystallized with potent inhibitors.
Blood Adv, 2, 2018
4V68
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BU of 4v68 by Molmil
T. thermophilus 70S ribosome in complex with mRNA, tRNAs and EF-Tu.GDP.kirromycin ternary complex, fitted to a 6.4 A Cryo-EM map.
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Schuette, J.-C, Spahn, C.M.T.
Deposit date:2008-12-11
Release date:2014-07-09
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:GTPase activation of elongation factor EF-Tu by the ribosome during decoding
Embo J., 28, 2009
6EAT
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BU of 6eat by Molmil
Crystallographic structure of the cyclic nonapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21.
Descriptor: 9MER-PEPTIDE, CALCIUM ION, Cationic trypsin, ...
Authors:Fernandes, J.C, Valadares, N.F, Freitas, S.M, Barbosa, J.A.R.G.
Deposit date:2018-08-03
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.149 Å)
Cite:Crystallographic structure of a complex between trypsin and a nonapeptide derived from a Bowman-Birk inhibitor found in Vigna unguiculata seeds.
Arch. Biochem. Biophys., 665, 2019
6B74
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BU of 6b74 by Molmil
Structures of the two-chain human plasma Factor XIIa co-crystallized with potent inhibitors
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, Coagulation factor XII, ...
Authors:Dementiev, A.A, Partridge, J.R.
Deposit date:2017-10-03
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.323 Å)
Cite:Structures of human plasma beta-factor XIIa cocrystallized with potent inhibitors.
Blood Adv, 2, 2018
1PJP
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BU of 1pjp by Molmil
THE 2.2 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH SUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYLKETONE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase, SUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYLKETONE INHIBITOR, ...
Authors:Pereira, P.J.B, Wang, Z.M, Rubin, H, Huber, R, Bode, W, Schechter, N.M, Strobl, S.
Deposit date:1998-09-07
Release date:1999-03-02
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The 2.2 A crystal structure of human chymase in complex with succinyl-Ala-Ala-Pro-Phe-chloromethylketone: structural explanation for its dipeptidyl carboxypeptidase specificity.
J.Mol.Biol., 286, 1999
1KMP
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BU of 1kmp by Molmil
Crystal structure of the Outer Membrane Transporter FecA Complexed with Ferric Citrate
Descriptor: CITRIC ACID, FE (III) ION, IRON(III) DICITRATE TRANSPORT PROTEIN FECA, ...
Authors:Ferguson, A.D, Chakraborty, R, Smith, B.S, Esser, L, van der Helm, D, Deisenhofer, J.
Deposit date:2001-12-17
Release date:2002-03-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of gating by the outer membrane transporter FecA.
Science, 295, 2002
1KMO
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Crystal structure of the Outer Membrane Transporter FecA
Descriptor: HEPTANE-1,2,3-TRIOL, Iron(III) dicitrate transport protein fecA, LAURYL DIMETHYLAMINE-N-OXIDE
Authors:Ferguson, A.D, Chakraborty, R, Smith, B.S, Esser, L, van der Helm, D, Deisenhofer, J.
Deposit date:2001-12-17
Release date:2002-03-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of gating by the outer membrane transporter FecA.
Science, 295, 2002
4YFS
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BU of 4yfs by Molmil
Structure of the synthetic Duffy Binding Protein (DBP) antigen DEKnull relevant for malaria vaccine design
Descriptor: Duffy receptor
Authors:Chen, E, Tolia, N.H.
Deposit date:2015-02-25
Release date:2015-03-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Analysis of the Synthetic Duffy Binding Protein (DBP) Antigen DEKnull Relevant for Plasmodium vivax Malaria Vaccine Design.
Plos Negl Trop Dis, 9, 2015
6ZEQ
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BU of 6zeq by Molmil
Aspergillus oryzae Leucine Aminopeptidase A mature enzyme
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Watson, K.A, Baltulionis, G.
Deposit date:2020-06-16
Release date:2021-06-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The role of propeptide-mediated autoinhibition and intermolecular chaperone in the maturation of cognate catalytic domain in leucine aminopeptidase.
J.Struct.Biol., 213, 2021
6ZEP
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BU of 6zep by Molmil
Flavourzyme Leucine Aminopeptidase A proenzyme
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Leucine aminopeptidase A, ...
Authors:Watson, K.A, Baltulionis, G.
Deposit date:2020-06-16
Release date:2021-06-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:The role of propeptide-mediated autoinhibition and intermolecular chaperone in the maturation of cognate catalytic domain in leucine aminopeptidase.
J.Struct.Biol., 213, 2021
4WJI
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BU of 4wji by Molmil
Crystal structure of cyclohexadienyl dehydrogenase from Sinorhizobium meliloti in complex with NADP and tyrosine
Descriptor: CHLORIDE ION, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Shabalin, I.G, Cooper, D.R, Hou, J, Zimmerman, M.D, Stead, M, Hillerich, B.S, Ahmed, M, Hammonds, J, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2014-09-30
Release date:2014-10-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of cyclohexadienyl dehydrogenase from Sinorhizobium meliloti in complex with NADP
to be published
6ZRF
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amyloid structure of amylin (IAPP - islet amyloid polypeptide)
Descriptor: Islet amyloid polypeptide
Authors:Gallardo, R.U, Iadanza, M.G, Ranson, N.A, Radford, S.E.
Deposit date:2020-07-13
Release date:2020-09-30
Last modified:2020-11-18
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Fibril structures of diabetes-related amylin variants reveal a basis for surface-templated assembly.
Nat.Struct.Mol.Biol., 27, 2020
6ZRQ
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two-protofilament amyloid structure of S20G variant of human amylin (IAPP - islet amyloid polypeptide)
Descriptor: Islet amyloid polypeptide
Authors:Gallardo, R.U, Iadanza, M.G, Ranson, N.A, Radford, S.E.
Deposit date:2020-07-14
Release date:2020-09-30
Last modified:2020-11-18
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Fibril structures of diabetes-related amylin variants reveal a basis for surface-templated assembly.
Nat.Struct.Mol.Biol., 27, 2020
7XZZ
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Cryo-EM structure of the nucleosome in complex with p53
Descriptor: Cellular tumor antigen p53, DNA (169-MER), Histone H2A type 1-B/E, ...
Authors:Nishimura, M, Nozawa, K, Takizawa, Y, Kurumizaka, H.
Deposit date:2022-06-03
Release date:2022-10-12
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (4.07 Å)
Cite:Structural basis for p53 binding to its nucleosomal target DNA sequence.
Pnas Nexus, 1, 2022

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