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1CUB
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BU of 1cub by Molmil
CUTINASE, N172K, R196D MUTANT, MONOCLINIC CRYSTAL FORM
Descriptor: CUTINASE
Authors:Longhi, S, Cambillau, C.
Deposit date:1995-11-16
Release date:1996-07-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Dynamics of Fusarium solani cutinase investigated through structural comparison among different crystal forms of its variants.
Proteins, 26, 1996
1CUX
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BU of 1cux by Molmil
CUTINASE, L114Y MUTANT
Descriptor: CUTINASE
Authors:Longhi, S, Cambillau, C.
Deposit date:1995-11-16
Release date:1996-07-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Dynamics of Fusarium solani cutinase investigated through structural comparison among different crystal forms of its variants.
Proteins, 26, 1996
1CUD
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BU of 1cud by Molmil
CUTINASE, N172K, R196D MUTANT, MONOCLINIC CRYSTAL FORM WITH THREE MOLECULES PER ASYMMETRIC UNIT
Descriptor: CUTINASE
Authors:Longhi, S, Cambillau, C.
Deposit date:1995-11-16
Release date:1996-07-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Dynamics of Fusarium solani cutinase investigated through structural comparison among different crystal forms of its variants.
Proteins, 26, 1996
1CUG
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BU of 1cug by Molmil
CUTINASE, R17E, N172K MUTANT
Descriptor: CUTINASE
Authors:Longhi, S, Cambillau, C.
Deposit date:1995-11-16
Release date:1996-07-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Dynamics of Fusarium solani cutinase investigated through structural comparison among different crystal forms of its variants.
Proteins, 26, 1996
1CUU
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BU of 1cuu by Molmil
CUTINASE, A199C MUTANT
Descriptor: CUTINASE
Authors:Longhi, S, Cambillau, C.
Deposit date:1995-11-16
Release date:1996-07-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Dynamics of Fusarium solani cutinase investigated through structural comparison among different crystal forms of its variants.
Proteins, 26, 1996
1CUH
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BU of 1cuh by Molmil
CUTINASE, R196E MUTANT
Descriptor: CUTINASE
Authors:Longhi, S, Cambillau, C.
Deposit date:1995-11-16
Release date:1996-07-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Dynamics of Fusarium solani cutinase investigated through structural comparison among different crystal forms of its variants.
Proteins, 26, 1996
1CUF
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BU of 1cuf by Molmil
CUTINASE, R156L MUTANT
Descriptor: CUTINASE
Authors:Longhi, S, Cambillau, C.
Deposit date:1995-11-16
Release date:1996-07-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Dynamics of Fusarium solani cutinase investigated through structural comparison among different crystal forms of its variants.
Proteins, 26, 1996
5T2T
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BU of 5t2t by Molmil
Crystal structure of Lymphocytic choriomeningitis mammarenavirus endonuclease bound to compound L742001
Descriptor: (2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Saez-Ayala, M, Yekwa, E.L, Canard, B, Alvarez, K, Ferron, F.
Deposit date:2016-08-24
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.967 Å)
Cite:Crystal structures ofLymphocytic choriomeningitis virusendonuclease domain complexed with diketo-acid ligands.
IUCrJ, 5, 2018
5JEG
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BU of 5jeg by Molmil
Human carbonic anhydrase II (V121I) complexed with benzo[d]thiazole-2-sulfonamide
Descriptor: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
Deposit date:2016-04-18
Release date:2017-01-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5JEP
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BU of 5jep by Molmil
Human carbonic anhydrase II (T199S) complexed with benzo[d]thiazole-2-sulfonamide
Descriptor: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
Deposit date:2016-04-18
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
3OUU
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BU of 3ouu by Molmil
Crystal Structure of Biotin Carboxylase-beta-gamma-ATP Complex from Campylobacter jejuni
Descriptor: Biotin carboxylase, CACODYLATE ION, CALCIUM ION, ...
Authors:Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-09-15
Release date:2010-10-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:Crystal Structure of Biotin Carboxylase-beta-gamma-ATP Complex from Campylobacter jejuni
TO BE PUBLISHED
6LOJ
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BU of 6loj by Molmil
The complex structure of IpaH9.8-LRR and hGBP1
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Guanylate-binding protein 1, Invasion plasmid antigen
Authors:Ye, Y, Huang, H.
Deposit date:2020-01-06
Release date:2020-12-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.72 Å)
Cite:Substrate-binding destabilizes the hydrophobic cluster to relieve the autoinhibition of bacterial ubiquitin ligase IpaH9.8.
Commun Biol, 3, 2020
4A8U
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BU of 4a8u by Molmil
Crystal Structure of native Birch Pollen Allergen Bet v 1 isoform j
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Kofler, S, Brandstetter, H.
Deposit date:2011-11-21
Release date:2012-05-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1.
J.Mol.Biol., 422, 2012
5JDV
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BU of 5jdv by Molmil
Human carbonic anhydrase II (F131W) complexed with benzo[d]thiazole-2-sulfonamide
Descriptor: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
Deposit date:2016-04-17
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5JEH
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BU of 5jeh by Molmil
Human carbonic anhydrase II (L198A) complexed with benzo[d]thiazole-2-sulfonamide
Descriptor: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
Deposit date:2016-04-18
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
6QZH
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BU of 6qzh by Molmil
Structure of the human CC Chemokine Receptor 7 in complex with the intracellular allosteric antagonist Cmp2105 and the insertion protein Sialidase NanA
Descriptor: 3-[[4-[[(1~{R})-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]-~{N},~{N},6-trimethyl-2-oxidanyl-benzamide, C-C chemokine receptor type 7,Sialidase A,C-C chemokine receptor type 7, D(-)-TARTARIC ACID, ...
Authors:Jaeger, K, Bruenle, S, Weinert, T, Guba, W, Muehle, J, Miyazaki, T, Weber, M, Furrer, A, Haenggi, N, Tetaz, T, Huang, C.Y, Mattle, D, Vonach, J.M, Gast, A, Kuglstatter, A, Rudolph, M.G, Nogly, P, Benz, J, Dawson, R.J.P, Standfuss, J.
Deposit date:2019-03-11
Release date:2019-09-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Allosteric Ligand Recognition in the Human CC Chemokine Receptor 7.
Cell, 178, 2019
4AON
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BU of 4aon by Molmil
Conformational dynamics of aspartate alpha-decarboxylase active site revealed by protein-ligand complexes: 1-methyl-L-aspartate complex
Descriptor: ASPARTATE-ALPHA-DECARBOXYLASE ALPHA CHAIN, ASPARTATE-ALPHA-DECARBOXYLASE BETA CHAIN, GLUTAMIC ACID
Authors:Yorke, B.A, Monteiro, D.C.F, Pearson, A.R, Webb, M.E.
Deposit date:2012-03-29
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conformational Dynamics of Aspartate Alpha Decarboxylase Active Site Revealed by Protein-Ligand Complexes
To be Published
4A86
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BU of 4a86 by Molmil
Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in ternary complex with kinetin and 8-Anilinonaphthalene-1-sulfonate (ANS)
Descriptor: 8-ANILINO-1-NAPHTHALENE SULFONATE, MAJOR POLLEN ALLERGEN BET V 1-A, N-(FURAN-2-YLMETHYL)-7H-PURIN-6-AMINE, ...
Authors:Kofler, S, Brandstetter, H.
Deposit date:2011-11-18
Release date:2012-05-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1.
J.Mol.Biol., 422, 2012
4A84
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BU of 4a84 by Molmil
Crystal Structure of Major Birch Pollen Allergen Bet v 1 a F30V mutant in complex with deoxycholate.
Descriptor: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, (4S)-2-METHYL-2,4-PENTANEDIOL, MAJOR POLLEN ALLERGEN BET V 1-A, ...
Authors:Kofler, S, Brandstetter, H.
Deposit date:2011-11-18
Release date:2012-05-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1.
J.Mol.Biol., 422, 2012
5TDD
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BU of 5tdd by Molmil
Human UBR-box from UBR2 in complex with HIFS peptide
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase UBR2, HIS-ILE-PHE-SER peptide, ...
Authors:Munoz-Escobar, J, Kozlov, G, Gehring, K.
Deposit date:2016-09-19
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Bound Waters Mediate Binding of Diverse Substrates to a Ubiquitin Ligase.
Structure, 25, 2017
1PO1
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BU of 1po1 by Molmil
POLIOVIRUS (TYPE 1, MAHONEY) IN COMPLEX WITH R80633, AN INHIBITOR OF VIRAL REPLICATION
Descriptor: (METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID, POLIOVIRUS TYPE 1 MAHONEY
Authors:Hiremath, C.N, Filman, D.J, Grant, R.A, Hogle, J.M.
Deposit date:1997-01-08
Release date:1997-12-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Ligand-induced conformational changes in poliovirus-antiviral drug complexes.
Acta Crystallogr.,Sect.D, 53, 1997
4A81
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BU of 4a81 by Molmil
Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in ternary complex with 8-Anilinonaphthalene-1-sulfonate (ANS) and deoxycholic acid
Descriptor: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, (4S)-2-METHYL-2,4-PENTANEDIOL, 8-ANILINO-1-NAPHTHALENE SULFONATE, ...
Authors:Kofler, S, Brandstetter, H.
Deposit date:2011-11-18
Release date:2012-05-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1.
J.Mol.Biol., 422, 2012
7UD7
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BU of 7ud7 by Molmil
Crystal structure of deoxygenated hemoglobin in complex with 5HMF-NO at 1.8 Angstrom
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Donkor, A.K, Musayev, F.N, Safo, M.K.
Deposit date:2022-03-18
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, Synthesis, and Antisickling Investigation of a Nitric Oxide-Releasing Prodrug of 5HMF for the Treatment of Sickle Cell Disease.
Biomolecules, 12, 2022
7UD8
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BU of 7ud8 by Molmil
Crystal structure of carbon monoxy Hemoglobin in complex with 5HMF at 1.8 Angstrom
Descriptor: (5-methylfuran-2-yl)methanol, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Donkor, A.K, Musayev, F.N, Safo, M.S.
Deposit date:2022-03-18
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, Synthesis, and Antisickling Investigation of a Nitric Oxide-Releasing Prodrug of 5HMF for the Treatment of Sickle Cell Disease.
Biomolecules, 12, 2022
1PXJ
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BU of 1pxj by Molmil
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamine
Descriptor: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE, Cell division protein kinase 2
Authors:Wu, S.Y, McNae, I, Kontopidis, G, McClue, S.J, McInnes, C, Stewart, K.J, Wang, S, Zheleva, D.I, Marriage, H, Lane, D.P, Taylor, P, Fischer, P.M, Walkinshaw, M.D.
Deposit date:2003-07-04
Release date:2003-12-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop
Structure, 11, 2003

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